(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide

C24H29N3O5 — CID 42878811

IUPAC(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCCNC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-31-18-11-12-19(21(16-18)32-2)24(30)27-15-6-10-20(27)23(29)26-14-7-13-25-22(28)17-8-4-3-5-9-17/h3-5,8-9,11-12,16,20H,6-7,10,13-15H2,1-2H3,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKeyKRDCQRYOPTZPCT-HXUWFJFHSA-N
MW439.51 g/mol
LogP2.24
Rot. Bonds9

About (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide

(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 42878811) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID42878811
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCCNC(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-31-18-11-12-19(21(16-18)32-2)24(30)27-15-6-10-20(27)23(29)26-14-7-13-25-22(28)17-8-4-3-5-9-17/h3-5,8-9,11-12,16,20H,6-7,10,13-15H2,1-2H3,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKeyKRDCQRYOPTZPCT-HXUWFJFHSA-N
XLogP2.24
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(3,5-dimethoxybenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071507
1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 120945991
N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 136576718
N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
CID 175293067
(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-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720594
1-[2-(difluoromethoxy)benzoyl]-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119432169
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
(2S)-1-(3,3-dimethylbutanoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071501

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide (CID 42878811) is (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide is COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCCCNC(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is KRDCQRYOPTZPCT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-31-18-11-12-19(21(16-18)32-2)24(30)27-15-6-10-20(27)23(29)26-14-7-13-25-22(28)17-8-4-3-5-9-17/h3-5,8-9,11-12,16,20H,6-7,10,13-15H2,1-2H3,(H,25,28)(H,26,29)/t20-/m1/s1.
What are the key properties of (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42878811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).