N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide

C21H24N2O3 — CID 8965301

IUPACN-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-4-8-17(9-5-15)19(24)12-13-20(25)23(3)14-16-6-10-18(11-7-16)21(26)22-2/h4-11H,12-14H2,1-3H3,(H,22,26)
InChIKeyNHAHSZDVPRIIDN-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.98
Rot. Bonds7

About N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide (PubChem CID 8965301) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
PubChem CID8965301
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-4-8-17(9-5-15)19(24)12-13-20(25)23(3)14-16-6-10-18(11-7-16)21(26)22-2/h4-11H,12-14H2,1-3H3,(H,22,26)
InChIKeyNHAHSZDVPRIIDN-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 78801197
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 38748417
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 55344317
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8967214
N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide
CID 26722353
4-[[(3-amino-2,2-dimethylpropanoyl)-methylamino]methyl]-N-methylbenzamide;hydrochloride
CID 119694216
4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8965694
4-[[[ethylamino-[methyl-[(4-methylphenyl)methyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111289196
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide (CID 8965301) is N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)CCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide?
The InChIKey is NHAHSZDVPRIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-4-8-17(9-5-15)19(24)12-13-20(25)23(3)14-16-6-10-18(11-7-16)21(26)22-2/h4-11H,12-14H2,1-3H3,(H,22,26).
What are the key properties of N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide is sourced from PubChem (CID 8965301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).