N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide

C20H23N3O4 — CID 46463640

IUPACN-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cc(NC(C)=O)ccc2C)cc1
InChIInChI=1S/C20H23N3O4/c1-4-27-17-9-6-15(7-10-17)20(26)21-12-19(25)23-18-11-16(22-14(3)24)8-5-13(18)2/h5-11H,4,12H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeySWXWNNKGBODJMH-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide

N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 46463640) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide
PubChem CID46463640
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cc(NC(C)=O)ccc2C)cc1
InChIInChI=1S/C20H23N3O4/c1-4-27-17-9-6-15(7-10-17)20(26)21-12-19(25)23-18-11-16(22-14(3)24)8-5-13(18)2/h5-11H,4,12H2,1-3H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeySWXWNNKGBODJMH-UHFFFAOYSA-N
XLogP2.72
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
2-[4-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-3-methylphenoxy]acetic acid
CID 120524790
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N-(5-acetamido-2-methylphenyl)-4-prop-2-enoxybenzamide
CID 46463696
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
N-(5-acetamido-2-methylphenyl)-2-ethoxyacetamide
CID 61216429

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide (CID 46463640) is N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)Nc2cc(NC(C)=O)ccc2C)cc1.
What is the InChIKey of N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is SWXWNNKGBODJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-4-27-17-9-6-15(7-10-17)20(26)21-12-19(25)23-18-11-16(22-14(3)24)8-5-13(18)2/h5-11H,4,12H2,1-3H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide?
N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 369.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetamido-2-methylanilino)-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 46463640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).