2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide

C20H23N3O3 — CID 1100701

IUPAC2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-13-5-7-14(8-6-13)17(24)22-23-18(25)15-9-11-16(12-10-15)21-19(26)20(2,3)4/h5-12H,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyZBYWJKSBSAPLGD-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.05
Rot. Bonds3

About 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide

2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide (PubChem CID 1100701) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
PubChem CID1100701
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-13-5-7-14(8-6-13)17(24)22-23-18(25)15-9-11-16(12-10-15)21-19(26)20(2,3)4/h5-12H,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyZBYWJKSBSAPLGD-UHFFFAOYSA-N
XLogP3.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.05
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

N-[4-[(2,2-dimethylpropanoylamino)carbamoyl]phenyl]benzamide
CID 614192
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
(1R,2R,3R,4R)-3-[[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 126382471
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
4-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)benzamide
CID 17218245
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
N-[(2R)-butan-2-yl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 42427493
(2S,3S)-2,3-dibenzoyloxy-4-[2-[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinyl]-4-oxobutanoic acid
CID 126386174
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108505
N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 1370379

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide (CID 1100701) is 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide is Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
The InChIKey is ZBYWJKSBSAPLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-5-7-14(8-6-13)17(24)22-23-18(25)15-9-11-16(12-10-15)21-19(26)20(2,3)4/h5-12H,1-4H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 1100701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).