(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide

C20H24N2O — CID 52641321

IUPAC(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2O/c23-20(21-15-7-11-17-9-3-1-4-10-17)22-16-8-14-19(22)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23)/t19-/m0/s1
InChIKeyIVUPASHRICVTHO-IBGZPJMESA-N
MW308.43 g/mol
LogP4.17
Rot. Bonds5

About (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide

(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide (PubChem CID 52641321) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
PubChem CID52641321
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCC[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2O/c23-20(21-15-7-11-17-9-3-1-4-10-17)22-16-8-14-19(22)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23)/t19-/m0/s1
InChIKeyIVUPASHRICVTHO-IBGZPJMESA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253
1-Benzylimidazolidin-2-one
CID 231403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide (CID 52641321) is (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCC[C@H]1c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is IVUPASHRICVTHO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O/c23-20(21-15-7-11-17-9-3-1-4-10-17)22-16-8-14-19(22)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 52641321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).