3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide

C19H22N2O3 — CID 46761087

IUPAC3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CC)c2)c1
InChIInChI=1S/C19H22N2O3/c1-4-18(22)21-17-12-15(10-9-13(17)3)20-19(23)14-7-6-8-16(11-14)24-5-2/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIOUIMPYOICDFEK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.99
Rot. Bonds6

About 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide

3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide (PubChem CID 46761087) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
PubChem CID46761087
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CC)c2)c1
InChIInChI=1S/C19H22N2O3/c1-4-18(22)21-17-12-15(10-9-13(17)3)20-19(23)14-7-6-8-16(11-14)24-5-2/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIOUIMPYOICDFEK-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide
CID 23443332
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide (CID 46761087) is 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide is CCOc1cccc(C(=O)Nc2ccc(C)c(NC(=O)CC)c2)c1.
What is the InChIKey of 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide?
The InChIKey is IOUIMPYOICDFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-18(22)21-17-12-15(10-9-13(17)3)20-19(23)14-7-6-8-16(11-14)24-5-2/h6-12H,4-5H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide?
3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 46761087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).