2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide

C20H23N3O3 — CID 1100700

IUPAC2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-13-6-5-7-15(12-13)18(25)23-22-17(24)14-8-10-16(11-9-14)21-19(26)20(2,3)4/h5-12H,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyZZFBTBDZXSUWSK-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.05
Rot. Bonds3

About 2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide

2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide (PubChem CID 1100700) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
PubChem CID1100700
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
SMILESCc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-13-6-5-7-15(12-13)18(25)23-22-17(24)14-8-10-16(11-9-14)21-19(26)20(2,3)4/h5-12H,1-4H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyZZFBTBDZXSUWSK-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide (CID 1100700) is 2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide is Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1.
What is the InChIKey of 2,2-dimethyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
The InChIKey is ZZFBTBDZXSUWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-6-5-7-15(12-13)18(25)23-22-17(24)14-8-10-16(11-9-14)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-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide?
2,2-dimethyl-N-[4-[[(3-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-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 1100700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).