N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

C19H24N2O — CID 46342997

IUPACN-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc(C(CC(=O)NC2CCCC2)n2cccc2)c1
InChIInChI=1S/C19H24N2O/c1-15-7-6-8-16(13-15)18(21-11-4-5-12-21)14-19(22)20-17-9-2-3-10-17/h4-8,11-13,17-18H,2-3,9-10,14H2,1H3,(H,20,22)
InChIKeyFYFDALXWEQACMM-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.83
Rot. Bonds5

About N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342997) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342997
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc(C(CC(=O)NC2CCCC2)n2cccc2)c1
InChIInChI=1S/C19H24N2O/c1-15-7-6-8-16(13-15)18(21-11-4-5-12-21)14-19(22)20-17-9-2-3-10-17/h4-8,11-13,17-18H,2-3,9-10,14H2,1H3,(H,20,22)
InChIKeyFYFDALXWEQACMM-UHFFFAOYSA-N
XLogP3.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709898
3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
CID 45106963
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710145
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710109
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709799
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709861
(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 92710137
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 46342997) is N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is Cc1cccc(C(CC(=O)NC2CCCC2)n2cccc2)c1.
What is the InChIKey of N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is FYFDALXWEQACMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-7-6-8-16(13-15)18(21-11-4-5-12-21)14-19(22)20-17-9-2-3-10-17/h4-8,11-13,17-18H,2-3,9-10,14H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 296.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).