N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide

C14H26N2O — CID 81385804

IUPACN-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C14H26N2O/c1-10-8-15-9-13(10)14(17)16-11(2)12-6-4-3-5-7-12/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,13?/m1/s1
InChIKeyOMJSQXRCSLYJFR-QWKFWESOSA-N
MW238.37 g/mol
LogP1.93
Rot. Bonds3

About N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide

N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 81385804) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID81385804
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C14H26N2O/c1-10-8-15-9-13(10)14(17)16-11(2)12-6-4-3-5-7-12/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,13?/m1/s1
InChIKeyOMJSQXRCSLYJFR-QWKFWESOSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81390477
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
(3S,4S)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 114084659
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
N-[(1R)-1-cyclohexylethyl]piperidine-4-carboxamide
CID 81385810
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
6-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81387090
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide (CID 81385804) is N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)N[C@H](C)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is OMJSQXRCSLYJFR-QWKFWESOSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-8-15-9-13(10)14(17)16-11(2)12-6-4-3-5-7-12/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,13?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide?
N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81385804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).