(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one

C110H207N11O21 — CID 159390815

IUPAC(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one
SMILESCC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCCCC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)Cc1ccc(NC(=O)NC(C)(C)C)cc1.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C
InChIInChI=1S/C24H46N4O4.C18H28N2O2.C16H32N2O2.C15H29NO6.C13H25NO4.C13H25NO2.C11H22O/c1-23(2,3)18-20(30)14-11-16-26-21(31)25-15-9-7-8-12-19(29)13-10-17-27-22(32)28-24(4,5)6;1-17(2,3)12-15(21)11-13-7-9-14(10-8-13)19-16(22)20-18(4,5)6;1-15(2,3)12-13(19)10-8-7-9-11-17-14(20)18-16(4,5)6;1-14(2,3)7-8(17)9(18)10(19)11(20)12(21)13(22)16-15(4,5)6;1-12(2,3)7-8(15)9(16)10(17)11(18)14-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-10(2,3)7-9(12)8-11(4,5)6/h7-18H2,1-6H3,(H2,25,26,31)(H2,27,28,32);7-10H,11-12H2,1-6H3,(H2,19,20,22);7-12H2,1-6H3,(H2,17,18,20);9-12,18-21H,7H2,1-6H3,(H,16,22);9-10,16-17H,7H2,1-6H3,(H,14,18);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3/t;;;9-,10+,11-,12+;9-,10+;;/m...11../s1
InChIKeyLMBWUZUZDCZOEC-ACWYKAAQSA-N
MW2019.92 g/mol
LogP17.98
Rot. Bonds42

About (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one

(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one (PubChem CID 159390815) has the molecular formula C110H207N11O21 and a molecular weight of 2019.92 g/mol. Its IUPAC name is (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one.

Molecular Properties

Compound Name(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one
PubChem CID159390815
Molecular FormulaC110H207N11O21
Molecular Weight2019.92 g/mol
Exact Mass2018.55
IUPAC Name(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one
SMILESCC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCCCC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)Cc1ccc(NC(=O)NC(C)(C)C)cc1.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C
InChIInChI=1S/C24H46N4O4.C18H28N2O2.C16H32N2O2.C15H29NO6.C13H25NO4.C13H25NO2.C11H22O/c1-23(2,3)18-20(30)14-11-16-26-21(31)25-15-9-7-8-12-19(29)13-10-17-27-22(32)28-24(4,5)6;1-17(2,3)12-15(21)11-13-7-9-14(10-8-13)19-16(22)20-18(4,5)6;1-15(2,3)12-13(19)10-8-7-9-11-17-14(20)18-16(4,5)6;1-14(2,3)7-8(17)9(18)10(19)11(20)12(21)13(22)16-15(4,5)6;1-12(2,3)7-8(15)9(16)10(17)11(18)14-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-10(2,3)7-9(12)8-11(4,5)6/h7-18H2,1-6H3,(H2,25,26,31)(H2,27,28,32);7-10H,11-12H2,1-6H3,(H2,19,20,22);7-12H2,1-6H3,(H2,17,18,20);9-12,18-21H,7H2,1-6H3,(H,16,22);9-10,16-17H,7H2,1-6H3,(H,14,18);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3/t;;;9-,10+,11-,12+;9-,10+;;/m...11../s1
InChIKeyLMBWUZUZDCZOEC-ACWYKAAQSA-N
XLogP17.98
TPSA509.76 Ų
H-Bond Donors17
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002019.92
LogP ≤ 517.98
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one?
The IUPAC name of (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one (CID 159390815) is (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one.
What is the SMILES notation for (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one?
The canonical SMILES for (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one is CC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCCCC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)Cc1ccc(NC(=O)NC(C)(C)C)cc1.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C.
What is the InChIKey of (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one?
The InChIKey is LMBWUZUZDCZOEC-ACWYKAAQSA-N. The full InChI is InChI=1S/C24H46N4O4.C18H28N2O2.C16H32N2O2.C15H29NO6.C13H25NO4.C13H25NO2.C11H22O/c1-23(2,3)18-20(30)14-11-16-26-21(31)25-15-9-7-8-12-19(29)13-10-17-27-22(32)28-24(4,5)6;1-17(2,3)12-15(21)11-13-7-9-14(10-8-13)19-16(22)20-18(4,5)6;1-15(2,3)12-13(19)10-8-7-9-11-17-14(20)18-16(4,5)6;1-14(2,3)7-8(17)9(18)10(19)11(20)12(21)13(22)16-15(4,5)6;1-12(2,3)7-8(15)9(16)10(17)11(18)14-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-10(2,3)7-9(12)8-11(4,5)6/h7-18H2,1-6H3,(H2,25,26,31)(H2,27,28,32);7-10H,11-12H2,1-6H3,(H2,19,20,22);7-12H2,1-6H3,(H2,17,18,20);9-12,18-21H,7H2,1-6H3,(H,16,22);9-10,16-17H,7H2,1-6H3,(H,14,18);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3/t;;;9-,10+,11-,12+;9-,10+;;/m...11../s1.
What are the key properties of (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one?
(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one has a molecular weight of 2019.92 g/mol, XLogP of 17.98, 42 rotatable bonds, 17 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;(2S,3R,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;2,2,6,6-tetramethylheptan-4-one is sourced from PubChem (CID 159390815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).