4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide

C20H24N2O3 — CID 155945610

IUPAC4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(CNC(C)=O)cc2)cc1C
InChIInChI=1S/C20H24N2O3/c1-14-11-17(7-10-19(14)25-4)13-22(3)20(24)18-8-5-16(6-9-18)12-21-15(2)23/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyKNFBKJQYKKHXHO-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.91
Rot. Bonds6

About 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide

4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide (PubChem CID 155945610) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide
PubChem CID155945610
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(CNC(C)=O)cc2)cc1C
InChIInChI=1S/C20H24N2O3/c1-14-11-17(7-10-19(14)25-4)13-22(3)20(24)18-8-5-16(6-9-18)12-21-15(2)23/h5-11H,12-13H2,1-4H3,(H,21,23)
InChIKeyKNFBKJQYKKHXHO-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 32754986
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 86978090
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
9H-fluoren-9-ylmethyl N-[[4-[(3,4-dimethoxyphenyl)methyl-methylcarbamoyl]phenyl]methyl]carbamate
CID 59704031
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide (CID 155945610) is 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(CNC(C)=O)cc2)cc1C.
What is the InChIKey of 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide?
The InChIKey is KNFBKJQYKKHXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-11-17(7-10-19(14)25-4)13-22(3)20(24)18-8-5-16(6-9-18)12-21-15(2)23/h5-11H,12-13H2,1-4H3,(H,21,23).
What are the key properties of 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide?
4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 155945610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).