1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C28H29N3O3 — CID 50815932

IUPAC1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3C(=O)NCCc3ccccc3)c2)c1
InChIInChI=1S/C28H29N3O3/c1-20-8-5-11-22(18-20)26(32)30-24-13-6-12-23(19-24)28(34)31-17-7-14-25(31)27(33)29-16-15-21-9-3-2-4-10-21/h2-6,8-13,18-19,25H,7,14-17H2,1H3,(H,29,33)(H,30,32)
InChIKeyBZJRWARDLUKLPE-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.21
Rot. Bonds7

About 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide

1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 50815932) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID50815932
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3C(=O)NCCc3ccccc3)c2)c1
InChIInChI=1S/C28H29N3O3/c1-20-8-5-11-22(18-20)26(32)30-24-13-6-12-23(19-24)28(34)31-17-7-14-25(31)27(33)29-16-15-21-9-3-2-4-10-21/h2-6,8-13,18-19,25H,7,14-17H2,1H3,(H,29,33)(H,30,32)
InChIKeyBZJRWARDLUKLPE-UHFFFAOYSA-N
XLogP4.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815971
(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040
1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
CID 50816123
1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 50815967
(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 46375210
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 50815932) is 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide is Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3C(=O)NCCc3ccccc3)c2)c1.
What is the InChIKey of 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is BZJRWARDLUKLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20-8-5-11-22(18-20)26(32)30-24-13-6-12-23(19-24)28(34)31-17-7-14-25(31)27(33)29-16-15-21-9-3-2-4-10-21/h2-6,8-13,18-19,25H,7,14-17H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 50815932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).