N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide

C17H32N2O3 — CID 111460537

IUPACN-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(CC(=O)NCCC(O)C(C)C)NC(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-12(2)15(20)9-10-18-16(21)11-13(3)19-17(22)14-7-5-4-6-8-14/h12-15,20H,4-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyRPNPAPRSQNTSNN-UHFFFAOYSA-N
MW312.45 g/mol
LogP1.98
Rot. Bonds8

About N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide

N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 111460537) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID111460537
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(CC(=O)NCCC(O)C(C)C)NC(=O)C1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-12(2)15(20)9-10-18-16(21)11-13(3)19-17(22)14-7-5-4-6-8-14/h12-15,20H,4-11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyRPNPAPRSQNTSNN-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119534348
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111478031
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119394023

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide (CID 111460537) is N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide is CC(CC(=O)NCCC(O)C(C)C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is RPNPAPRSQNTSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-12(2)15(20)9-10-18-16(21)11-13(3)19-17(22)14-7-5-4-6-8-14/h12-15,20H,4-11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 312.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 111460537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).