2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide

C20H23N3O3 — CID 26163659

IUPAC2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide
SMILESCc1ccccc1CC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C20H23N3O3/c1-13(2)19(25)21-17-10-8-15(9-11-17)20(26)23-22-18(24)12-16-7-5-4-6-14(16)3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyYTUWGAHEQVNMSB-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide

2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide (PubChem CID 26163659) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide
PubChem CID26163659
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide
SMILESCc1ccccc1CC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C20H23N3O3/c1-13(2)19(25)21-17-10-8-15(9-11-17)20(26)23-22-18(24)12-16-7-5-4-6-14(16)3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyYTUWGAHEQVNMSB-UHFFFAOYSA-N
XLogP2.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.59
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-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580
N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925295
2-methyl-N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]propanamide
CID 1263273
2-methyl-N-[4-[(tetradecanoylamino)carbamoyl]phenyl]propanamide
CID 54792173
N-[4-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925197
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4940345
N-(2,3-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 977709
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-[2-(2-methylphenyl)acetyl]pyridine-3-carbohydrazide
CID 35152193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide (CID 26163659) is 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide is Cc1ccccc1CC(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide?
The InChIKey is YTUWGAHEQVNMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)19(25)21-17-10-8-15(9-11-17)20(26)23-22-18(24)12-16-7-5-4-6-14(16)3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide?
2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide has a molecular weight of 353.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 26163659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).