N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide

C17H32N2O3 — CID 111477872

IUPACN-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESCCC(C)C(C)(O)CNC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-4-13(2)17(3,22)12-19-15(20)10-11-18-16(21)14-8-6-5-7-9-14/h13-14,22H,4-12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCWSJNRDYDAHABT-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.99
Rot. Bonds8

About N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide

N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 111477872) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
PubChem CID111477872
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESCCC(C)C(C)(O)CNC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-4-13(2)17(3,22)12-19-15(20)10-11-18-16(21)14-8-6-5-7-9-14/h13-14,22H,4-12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyCWSJNRDYDAHABT-UHFFFAOYSA-N
XLogP1.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111478031
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide
CID 111477877
tert-butyl N-[3-[3-(cyclohexanecarbonylamino)propylamino]-3-oxopropyl]carbamate
CID 108921552
N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide
CID 111477947
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide (CID 111477872) is N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide is CCC(C)C(C)(O)CNC(=O)CCNC(=O)C1CCCCC1.
What is the InChIKey of N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is CWSJNRDYDAHABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-4-13(2)17(3,22)12-19-15(20)10-11-18-16(21)14-8-6-5-7-9-14/h13-14,22H,4-12H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide?
N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 312.45 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 111477872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).