N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide

C19H21N3O3 — CID 815570

IUPACN-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)18(25)20-15-11-9-14(10-12-15)17(24)22-21-16(23)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyXITQVWICHRWHCW-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.75
Rot. Bonds3

About N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide

N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 815570) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide
PubChem CID815570
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)18(25)20-15-11-9-14(10-12-15)17(24)22-21-16(23)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyXITQVWICHRWHCW-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide (CID 815570) is N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is XITQVWICHRWHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)18(25)20-15-11-9-14(10-12-15)17(24)22-21-16(23)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide?
N-[4-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide 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-(benzamidocarbamoyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 815570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).