2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide

C22H33N3O2 — CID 87035128

IUPAC2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)Cc1ccc(NC(=O)N2CCCC2C2CCCC2)cc1
InChIInChI=1S/C22H33N3O2/c1-3-24(4-2)21(26)16-17-11-13-19(14-12-17)23-22(27)25-15-7-10-20(25)18-8-5-6-9-18/h11-14,18,20H,3-10,15-16H2,1-2H3,(H,23,27)
InChIKeyQKWIJUTVLYMDMP-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.28
Rot. Bonds6

About 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide

2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 87035128) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID87035128
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)Cc1ccc(NC(=O)N2CCCC2C2CCCC2)cc1
InChIInChI=1S/C22H33N3O2/c1-3-24(4-2)21(26)16-17-11-13-19(14-12-17)23-22(27)25-15-7-10-20(25)18-8-5-6-9-18/h11-14,18,20H,3-10,15-16H2,1-2H3,(H,23,27)
InChIKeyQKWIJUTVLYMDMP-UHFFFAOYSA-N
XLogP4.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)benzoic acid
CID 65319992
2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 71889554
N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43628447
N-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 58707786
2-cyclobutyl-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 71860746
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
2-cyclopentyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 116655257
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
ethyl 2-[4-[[2-(4-methylphenyl)azepane-1-carbonyl]amino]phenyl]acetate
CID 47002038
ethyl 2-[4-[[(2R)-2-(4-methylphenyl)azepane-1-carbonyl]amino]phenyl]acetate
CID 93076746
N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 86962871

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide (CID 87035128) is 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide is CCN(CC)C(=O)Cc1ccc(NC(=O)N2CCCC2C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QKWIJUTVLYMDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-24(4-2)21(26)16-17-11-13-19(14-12-17)23-22(27)25-15-7-10-20(25)18-8-5-6-9-18/h11-14,18,20H,3-10,15-16H2,1-2H3,(H,23,27).
What are the key properties of 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide?
2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87035128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).