2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide

C24H44N2O4 — CID 138498566

IUPAC2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide
SMILESCC(NC(=O)C(C)C(C)C(=O)C(C)(C)C)C(C)NC(=O)C(C)C(C)C(=O)C(C)(C)C
InChIInChI=1S/C24H44N2O4/c1-13(19(27)23(7,8)9)15(3)21(29)25-17(5)18(6)26-22(30)16(4)14(2)20(28)24(10,11)12/h13-18H,1-12H3,(H,25,29)(H,26,30)
InChIKeyNAFWNHBOEFTAKF-UHFFFAOYSA-N
MW424.63 g/mol
LogP3.77
Rot. Bonds9

About 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide

2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide (PubChem CID 138498566) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide.

Molecular Properties

Compound Name2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide
PubChem CID138498566
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Name2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide
SMILESCC(NC(=O)C(C)C(C)C(=O)C(C)(C)C)C(C)NC(=O)C(C)C(C)C(=O)C(C)(C)C
InChIInChI=1S/C24H44N2O4/c1-13(19(27)23(7,8)9)15(3)21(29)25-17(5)18(6)26-22(30)16(4)14(2)20(28)24(10,11)12/h13-18H,1-12H3,(H,25,29)(H,26,30)
InChIKeyNAFWNHBOEFTAKF-UHFFFAOYSA-N
XLogP3.77
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethyl-3-oxopentan-2-yl)-dimethylazanium
CID 163999676
2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide
CID 59883190
(4R,5R)-5-hydroxy-2,2,4-trimethylheptan-3-one
CID 131857696
(4,4-dimethyl-3-oxopentan-2-yl)urea
CID 58728668
methane;3-methylbutan-2-one;2,2,4-trimethylpentan-3-one
CID 159361320
(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane
CID 160564575
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
CID 166979510
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
N-(2,5,5-trimethyl-4-oxohexan-3-yl)propanamide
CID 126543294
methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide
CID 159918329
3-amino-2,5,5-trimethyl-4-oxohexanoic acid
CID 130346585

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide?
The IUPAC name of 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide (CID 138498566) is 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide.
What is the SMILES notation for 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide?
The canonical SMILES for 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide is CC(NC(=O)C(C)C(C)C(=O)C(C)(C)C)C(C)NC(=O)C(C)C(C)C(=O)C(C)(C)C.
What is the InChIKey of 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide?
The InChIKey is NAFWNHBOEFTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-13(19(27)23(7,8)9)15(3)21(29)25-17(5)18(6)26-22(30)16(4)14(2)20(28)24(10,11)12/h13-18H,1-12H3,(H,25,29)(H,26,30).
What are the key properties of 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide?
2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide has a molecular weight of 424.63 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide is sourced from PubChem (CID 138498566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).