4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide

C26H28N2O3 — CID 18839408

IUPAC4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-17(2)31-23-15-13-20(14-16-23)24(27-25(29)21-9-5-18(3)6-10-21)28-26(30)22-11-7-19(4)8-12-22/h5-17,24H,1-4H3,(H,27,29)(H,28,30)
InChIKeyLZHKBNLXXXTEDG-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.95
Rot. Bonds7

About 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide

4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 18839408) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID18839408
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-17(2)31-23-15-13-20(14-16-23)24(27-25(29)21-9-5-18(3)6-10-21)28-26(30)22-11-7-19(4)8-12-22/h5-17,24H,1-4H3,(H,27,29)(H,28,30)
InChIKeyLZHKBNLXXXTEDG-UHFFFAOYSA-N
XLogP4.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide
CID 18890052
3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839415
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839413
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 43092234
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide (CID 18839408) is 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide is Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is LZHKBNLXXXTEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-17(2)31-23-15-13-20(14-16-23)24(27-25(29)21-9-5-18(3)6-10-21)28-26(30)22-11-7-19(4)8-12-22/h5-17,24H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide?
4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 18839408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).