N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide

C15H28N2O — CID 119809069

IUPACN-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)C(C)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-11(13-6-4-3-5-7-13)12(2)17-15(18)14-8-9-16-10-14/h11-14,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyPPJRUPITVPBGHN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.32
Rot. Bonds4

About N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide

N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 119809069) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
PubChem CID119809069
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)C(C)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-11(13-6-4-3-5-7-13)12(2)17-15(18)14-8-9-16-10-14/h11-14,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyPPJRUPITVPBGHN-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
CID 164655377
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-[(1R)-1-cyclohexylethyl]piperidine-4-carboxamide
CID 81385810
N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 119731741
N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119812040
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119809032
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119809033
N-(3-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119775883

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide (CID 119809069) is N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1)C(C)C1CCCCC1.
What is the InChIKey of N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is PPJRUPITVPBGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(13-6-4-3-5-7-13)12(2)17-15(18)14-8-9-16-10-14/h11-14,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide?
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119809069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).