N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide

C20H25N3O3 — CID 38773224

IUPACN-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCOc1ccccc1NC(=O)CNc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C20H25N3O3/c1-4-19(24)22-16-11-8-10-15(14(16)3)21-13-20(25)23-17-9-6-7-12-18(17)26-5-2/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYTSHZIMTZSXIIK-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.79
Rot. Bonds8

About N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide

N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (PubChem CID 38773224) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
PubChem CID38773224
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCOc1ccccc1NC(=O)CNc1cccc(NC(=O)CC)c1C
InChIInChI=1S/C20H25N3O3/c1-4-19(24)22-16-11-8-10-15(14(16)3)21-13-20(25)23-17-9-6-7-12-18(17)26-5-2/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyYTSHZIMTZSXIIK-UHFFFAOYSA-N
XLogP3.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
N-(2,6-diethylphenyl)-2-(2-ethoxyanilino)acetamide
CID 8965705
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (CID 38773224) is N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is CCOc1ccccc1NC(=O)CNc1cccc(NC(=O)CC)c1C.
What is the InChIKey of N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The InChIKey is YTSHZIMTZSXIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-19(24)22-16-11-8-10-15(14(16)3)21-13-20(25)23-17-9-6-7-12-18(17)26-5-2/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 38773224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).