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

C20H25N3O3 — CID 55892840

IUPACN-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
SMILESCCOc1ccccc1NC(=O)CNc1cc(NC(=O)CC)ccc1C
InChIInChI=1S/C20H25N3O3/c1-4-19(24)22-15-11-10-14(3)17(12-15)21-13-20(25)23-16-8-6-7-9-18(16)26-5-2/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLRJRPMZQAZTTAT-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.79
Rot. Bonds8

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

N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide (PubChem CID 55892840) 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]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
PubChem CID55892840
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
SMILESCCOc1ccccc1NC(=O)CNc1cc(NC(=O)CC)ccc1C
InChIInChI=1S/C20H25N3O3/c1-4-19(24)22-15-11-10-14(3)17(12-15)21-13-20(25)23-16-8-6-7-9-18(16)26-5-2/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLRJRPMZQAZTTAT-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-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
2-(4-bromoanilino)-N-(2-ethoxyphenyl)acetamide
CID 7535577
2-(2-ethoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 26438880
N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823688
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide (CID 55892840) is N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide is CCOc1ccccc1NC(=O)CNc1cc(NC(=O)CC)ccc1C.
What is the InChIKey of N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide?
The InChIKey is LRJRPMZQAZTTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-19(24)22-15-11-10-14(3)17(12-15)21-13-20(25)23-16-8-6-7-9-18(16)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]-4-methylphenyl]propanamide?
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-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]-4-methylphenyl]propanamide is sourced from PubChem (CID 55892840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).