4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide

C19H28N2O — CID 119535763

IUPAC4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c22-19(21-13-11-15-10-12-20-14-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-5,15,17-18,20H,6-14H2,(H,21,22)
InChIKeyXTQHUHNCMTYPQI-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.08
Rot. Bonds5

About 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide

4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide (PubChem CID 119535763) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
PubChem CID119535763
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCC1CCNC1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O/c22-19(21-13-11-15-10-12-20-14-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-5,15,17-18,20H,6-14H2,(H,21,22)
InChIKeyXTQHUHNCMTYPQI-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119557227
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide
CID 119536703
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535808
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
1-(benzenesulfonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119533650

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide (CID 119535763) is 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide is O=C(NCCC1CCNC1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is XTQHUHNCMTYPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(21-13-11-15-10-12-20-14-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-5,15,17-18,20H,6-14H2,(H,21,22).
What are the key properties of 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide?
4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119535763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).