(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

C24H29N3O4 — CID 46105660

IUPAC(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)[C@H]2CCCN2C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C24H29N3O4/c1-31-20-12-10-19(11-13-20)23(29)25-15-16-26-24(30)21-8-5-17-27(21)22(28)14-9-18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-17H2,1H3,(H,25,29)(H,26,30)/t21-/m1/s1
InChIKeyCRXXBCNZZGICHU-OAQYLSRUSA-N
MW423.51 g/mol
LogP2.16
Rot. Bonds9

About (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 46105660) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID46105660
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)[C@H]2CCCN2C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C24H29N3O4/c1-31-20-12-10-19(11-13-20)23(29)25-15-16-26-24(30)21-8-5-17-27(21)22(28)14-9-18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-17H2,1H3,(H,25,29)(H,26,30)/t21-/m1/s1
InChIKeyCRXXBCNZZGICHU-OAQYLSRUSA-N
XLogP2.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720594
(2S)-1-(3,3-dimethylbutanoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071501
(2S)-1-(3,5-dimethoxybenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071507
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55965832
(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
CID 51071313
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
(2R)-N-[(2R)-2-[(4-methoxybenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46104335
(2R)-1-(3-phenylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831558
(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 42878811

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide (CID 46105660) is (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide is COc1ccc(C(=O)NCCNC(=O)[C@H]2CCCN2C(=O)CCc2ccccc2)cc1.
What is the InChIKey of (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is CRXXBCNZZGICHU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-31-20-12-10-19(11-13-20)23(29)25-15-16-26-24(30)21-8-5-17-27(21)22(28)14-9-18-6-3-2-4-7-18/h2-4,6-7,10-13,21H,5,8-9,14-17H2,1H3,(H,25,29)(H,26,30)/t21-/m1/s1.
What are the key properties of (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46105660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).