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

C24H29N3O3 — CID 24720594

IUPAC(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCNC(=O)[C@H]1CCCN1C(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O3/c28-22(15-14-19-9-3-1-4-10-19)27-18-7-13-21(27)24(30)26-17-8-16-25-23(29)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,25,29)(H,26,30)/t21-/m1/s1
InChIKeyBHKMHXJZAXHAQZ-OAQYLSRUSA-N
MW407.51 g/mol
LogP2.55
Rot. Bonds9

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

(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 24720594) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID24720594
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCNC(=O)[C@H]1CCCN1C(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O3/c28-22(15-14-19-9-3-1-4-10-19)27-18-7-13-21(27)24(30)26-17-8-16-25-23(29)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,25,29)(H,26,30)/t21-/m1/s1
InChIKeyBHKMHXJZAXHAQZ-OAQYLSRUSA-N
XLogP2.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.55
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-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617
(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
CID 51071313
(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
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(2R)-1-(3-phenylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831558
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
[2-oxo-2-[(2S)-2-(3-phenylpropylcarbamoyl)piperidin-1-yl]ethyl]sulfanylmethylphosphonic acid
CID 11189178
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 25113615
(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 42878811

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide (CID 24720594) is (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide is O=C(NCCCNC(=O)[C@H]1CCCN1C(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is BHKMHXJZAXHAQZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-22(15-14-19-9-3-1-4-10-19)27-18-7-13-21(27)24(30)26-17-8-16-25-23(29)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,25,29)(H,26,30)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24720594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).