N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide

C19H23N3O3 — CID 87029088

IUPACN-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C19H23N3O3/c1-4-18(23)21-14-10-9-13(2)16(11-14)20-12-19(24)22-15-7-5-6-8-17(15)25-3/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDOCRIVJKYQVXIY-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.40
Rot. Bonds7

About N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide

N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide (PubChem CID 87029088) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
PubChem CID87029088
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C19H23N3O3/c1-4-18(23)21-14-10-9-13(2)16(11-14)20-12-19(24)22-15-7-5-6-8-17(15)25-3/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDOCRIVJKYQVXIY-UHFFFAOYSA-N
XLogP3.40
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487441
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17425229
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide (CID 87029088) is N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The InChIKey is DOCRIVJKYQVXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-18(23)21-14-10-9-13(2)16(11-14)20-12-19(24)22-15-7-5-6-8-17(15)25-3/h5-11,20H,4,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 87029088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).