N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide

C19H21N3O3 — CID 614192

IUPACN-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-21-17(24)14-9-11-15(12-10-14)20-16(23)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVYSQYCNQWPAQPR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.75
Rot. Bonds3

About N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide

N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide (PubChem CID 614192) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
PubChem CID614192
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-21-17(24)14-9-11-15(12-10-14)20-16(23)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVYSQYCNQWPAQPR-UHFFFAOYSA-N
XLogP2.75
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
(2S,3S)-2,3-dibenzoyloxy-4-[2-[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinyl]-4-oxobutanoic acid
CID 126386174
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-[2-(4-benzamidobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3293283
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-(ethylamino)phenyl]benzamide
CID 71038629

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide (CID 614192) is N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide is CC(C)(C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide?
The InChIKey is VYSQYCNQWPAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-21-17(24)14-9-11-15(12-10-14)20-16(23)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide?
N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 614192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).