2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide

C16H30N2O — CID 119452441

IUPAC2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide
SMILESCC(C)C(CC1CCCCC1)C(=O)NC1CCNC1
InChIInChI=1S/C16H30N2O/c1-12(2)15(10-13-6-4-3-5-7-13)16(19)18-14-8-9-17-11-14/h12-15,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyGNTXYVWMOCMXIJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.71
Rot. Bonds5

About 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide

2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 119452441) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide
PubChem CID119452441
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide
SMILESCC(C)C(CC1CCCCC1)C(=O)NC1CCNC1
InChIInChI=1S/C16H30N2O/c1-12(2)15(10-13-6-4-3-5-7-13)16(19)18-14-8-9-17-11-14/h12-15,17H,3-11H2,1-2H3,(H,18,19)
InChIKeyGNTXYVWMOCMXIJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119450514
2-(cyclopentylmethyl)-N-pyrrolidin-3-ylbutanamide
CID 119449890
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
2-(cyclohexylmethyl)-3-methyl-N-[3-(methylamino)propyl]butanamide
CID 119432403
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618
3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
CID 119454087
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide (CID 119452441) is 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide is CC(C)C(CC1CCCCC1)C(=O)NC1CCNC1.
What is the InChIKey of 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is GNTXYVWMOCMXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)15(10-13-6-4-3-5-7-13)16(19)18-14-8-9-17-11-14/h12-15,17H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide?
2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 266.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-methyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119452441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).