N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide

C20H23N3O2 — CID 87003801

IUPACN-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H23N3O2/c1-15(21-20(25)23-12-5-6-13-23)17-10-7-11-18(14-17)22-19(24)16-8-3-2-4-9-16/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyOWXCAMLZUGVRMC-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide

N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 87003801) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID87003801
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H23N3O2/c1-15(21-20(25)23-12-5-6-13-23)17-10-7-11-18(14-17)22-19(24)16-8-3-2-4-9-16/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyOWXCAMLZUGVRMC-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003800
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[1-[3-(methanesulfonamido)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 71939059
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350
(2S,4S)-N-[1-(3-benzamidophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620755
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
N-[(1S)-1-(3-benzamidophenyl)ethyl]-2-methyl-1H-imidazole-5-carboxamide
CID 95979650

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide (CID 87003801) is N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is OWXCAMLZUGVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(21-20(25)23-12-5-6-13-23)17-10-7-11-18(14-17)22-19(24)16-8-3-2-4-9-16/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide?
N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzamidophenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87003801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).