4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide

C20H24N2O3 — CID 157277660

IUPAC4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1NC(=O)C(C)C
InChIInChI=1S/C20H24N2O3/c1-13(2)19(23)22-17-11-16(9-10-18(17)25-4)20(24)21-12-15-7-5-14(3)6-8-15/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyIUHNIDPEMUQFID-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.53
Rot. Bonds6

About 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide

4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide (PubChem CID 157277660) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide
PubChem CID157277660
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1NC(=O)C(C)C
InChIInChI=1S/C20H24N2O3/c1-13(2)19(23)22-17-11-16(9-10-18(17)25-4)20(24)21-12-15-7-5-14(3)6-8-15/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyIUHNIDPEMUQFID-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18092226
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
CID 118877995
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylbenzoyl)amino]acetate
CID 42968661
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
CID 56687266

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide (CID 157277660) is 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide is COc1ccc(C(=O)NCc2ccc(C)cc2)cc1NC(=O)C(C)C.
What is the InChIKey of 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide?
The InChIKey is IUHNIDPEMUQFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)19(23)22-17-11-16(9-10-18(17)25-4)20(24)21-12-15-7-5-14(3)6-8-15/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide?
4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methylphenyl)methyl]-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 157277660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).