2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide

C20H24N2O4 — CID 51332897

IUPAC2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)19(23)22-15-7-5-14(6-8-15)12-21-20(24)17-10-9-16(25-3)11-18(17)26-4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPQOUQMZPZZFBDD-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.23
Rot. Bonds7

About 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide

2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide (PubChem CID 51332897) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
PubChem CID51332897
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-13(2)19(23)22-15-7-5-14(6-8-15)12-21-20(24)17-10-9-16(25-3)11-18(17)26-4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPQOUQMZPZZFBDD-UHFFFAOYSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55509565
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
CID 87019008
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
2-hydroxy-5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 37267775
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
CID 45076837
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide
CID 119046638
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide (CID 51332897) is 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide?
The InChIKey is PQOUQMZPZZFBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(2)19(23)22-15-7-5-14(6-8-15)12-21-20(24)17-10-9-16(25-3)11-18(17)26-4/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide?
2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 51332897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).