N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide

C14H26N2O2 — CID 102779592

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2NCCC2C)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-6-14(18,8-10)9-16-13(17)12-11(2)5-7-15-12/h10-12,15,18H,3-9H2,1-2H3,(H,16,17)
InChIKeySZNHZDYTJLTJNH-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.04
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779592) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102779592
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2NCCC2C)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-6-14(18,8-10)9-16-13(17)12-11(2)5-7-15-12/h10-12,15,18H,3-9H2,1-2H3,(H,16,17)
InChIKeySZNHZDYTJLTJNH-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]piperidine-3-carboxamide
CID 65119800
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160521
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 65120385
N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 79758864
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596904
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80547935

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide (CID 102779592) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide is CC1CCCC(O)(CNC(=O)C2NCCC2C)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is SZNHZDYTJLTJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-4-3-6-14(18,8-10)9-16-13(17)12-11(2)5-7-15-12/h10-12,15,18H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).