(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

C23H27N3O3 — CID 24720617

IUPAC(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCNC(=O)[C@H]1CCCN1C(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c27-21(14-13-18-8-3-1-4-9-18)26-17-7-12-20(26)23(29)25-16-15-24-22(28)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,24,28)(H,25,29)/t20-/m1/s1
InChIKeyRRMAWQSNJZKXDU-HXUWFJFHSA-N
MW393.49 g/mol
LogP2.16
Rot. Bonds8

About (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 24720617) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID24720617
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCNC(=O)[C@H]1CCCN1C(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c27-21(14-13-18-8-3-1-4-9-18)26-17-7-12-20(26)23(29)25-16-15-24-22(28)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,24,28)(H,25,29)/t20-/m1/s1
InChIKeyRRMAWQSNJZKXDU-HXUWFJFHSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720594
(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105660
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
CID 51071313
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 60584974
(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071464
(2R)-1-(3-phenylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831558
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 25113615
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide (CID 24720617) is (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide is O=C(NCCNC(=O)[C@H]1CCCN1C(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is RRMAWQSNJZKXDU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(14-13-18-8-3-1-4-9-18)26-17-7-12-20(26)23(29)25-16-15-24-22(28)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,24,28)(H,25,29)/t20-/m1/s1.
What are the key properties of (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24720617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).