1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide

C20H22N4O3 — CID 136526263

IUPAC1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2cccc(NC(N)=O)c2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-20(11-6-12-24(20)17(25)14-7-3-2-4-8-14)18(26)22-15-9-5-10-16(13-15)23-19(21)27/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,26)(H3,21,23,27)
InChIKeyOWPYHXOUPRLSPY-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.81
Rot. Bonds4

About 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide

1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 136526263) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID136526263
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2cccc(NC(N)=O)c2)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C20H22N4O3/c1-20(11-6-12-24(20)17(25)14-7-3-2-4-8-14)18(26)22-15-9-5-10-16(13-15)23-19(21)27/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,26)(H3,21,23,27)
InChIKeyOWPYHXOUPRLSPY-UHFFFAOYSA-N
XLogP2.81
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
CID 167910630
N-(1,3-benzodioxol-5-yl)-1-benzoyl-2-methylazetidine-2-carboxamide
CID 46948137
N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119477845
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 75383687
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119463342
2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide
CID 46948259

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide (CID 136526263) is 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)Nc2cccc(NC(N)=O)c2)CCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is OWPYHXOUPRLSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-20(11-6-12-24(20)17(25)14-7-3-2-4-8-14)18(26)22-15-9-5-10-16(13-15)23-19(21)27/h2-5,7-10,13H,6,11-12H2,1H3,(H,22,26)(H3,21,23,27).
What are the key properties of 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide?
1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136526263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).