4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide

C23H28N2O2 — CID 34183340

IUPAC4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)CCc2ccc(C)cc2C)C2CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-16-4-7-19(17(2)14-16)10-13-22(26)25(21-11-12-21)15-18-5-8-20(9-6-18)23(27)24-3/h4-9,14,21H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyQISIPUQPVQWFFT-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.79
Rot. Bonds7

About 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide

4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide (PubChem CID 34183340) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide
PubChem CID34183340
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C(=O)CCc2ccc(C)cc2C)C2CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-16-4-7-19(17(2)14-16)10-13-22(26)25(21-11-12-21)15-18-5-8-20(9-6-18)23(27)24-3/h4-9,14,21H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyQISIPUQPVQWFFT-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl-(2-naphthalen-2-ylacetyl)amino]methyl]-N-methylbenzamide
CID 33351222
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542020
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46592100
4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide
CID 46579429
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
4-[[cyclopropyl-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]methyl]-N-methylbenzamide
CID 33354863
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide (CID 34183340) is 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C(=O)CCc2ccc(C)cc2C)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is QISIPUQPVQWFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-4-7-19(17(2)14-16)10-13-22(26)25(21-11-12-21)15-18-5-8-20(9-6-18)23(27)24-3/h4-9,14,21H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide?
4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[3-(2,4-dimethylphenyl)propanoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 34183340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).