N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide

C23H28N4O3 — CID 68776056

IUPACN-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide
SMILESCC(C)(C)C(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)N1CCCC1=O
InChIInChI=1S/C23H28N4O3/c1-23(2,3)20(27-14-6-9-19(27)28)22(30)25-16-12-10-15(11-13-16)21(29)26-18-8-5-4-7-17(18)24/h4-5,7-8,10-13,20H,6,9,14,24H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyPPIXNSPXJUECFM-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.50
Rot. Bonds5

About N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide

N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide (PubChem CID 68776056) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide
PubChem CID68776056
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide
SMILESCC(C)(C)C(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)N1CCCC1=O
InChIInChI=1S/C23H28N4O3/c1-23(2,3)20(27-14-6-9-19(27)28)22(30)25-16-12-10-15(11-13-16)21(29)26-18-8-5-4-7-17(18)24/h4-5,7-8,10-13,20H,6,9,14,24H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyPPIXNSPXJUECFM-UHFFFAOYSA-N
XLogP3.50
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610134
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide
CID 67401207
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24752952
N-(2-aminophenyl)-4-[[[4-(dimethylamino)phenyl]carbamoyl-[3-(2-oxopyrrolidin-1-yl)propyl]amino]methyl]benzamide
CID 58001052
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[2-methyl-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610135

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide (CID 68776056) is N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide is CC(C)(C)C(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)N1CCCC1=O.
What is the InChIKey of N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide?
The InChIKey is PPIXNSPXJUECFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2,3)20(27-14-6-9-19(27)28)22(30)25-16-12-10-15(11-13-16)21(29)26-18-8-5-4-7-17(18)24/h4-5,7-8,10-13,20H,6,9,14,24H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide?
N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide has a molecular weight of 408.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide is sourced from PubChem (CID 68776056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).