2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide

C28H27N3O2 — CID 2382881

IUPAC2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H27N3O2/c1-20-10-14-23(15-11-20)29-27(32)18-31(19-28(33)30-24-16-12-21(2)13-17-24)26-9-5-7-22-6-3-4-8-25(22)26/h3-17H,18-19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyCFEHKMGPGYWWOL-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.54
Rot. Bonds7

About 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide

2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide (PubChem CID 2382881) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide
PubChem CID2382881
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H27N3O2/c1-20-10-14-23(15-11-20)29-27(32)18-31(19-28(33)30-24-16-12-21(2)13-17-24)26-9-5-7-22-6-3-4-8-25(22)26/h3-17H,18-19H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyCFEHKMGPGYWWOL-UHFFFAOYSA-N
XLogP5.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1098117
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
2-(N-acetyl-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 113170796
2-(N-ethyl-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60517438
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 3637083

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide (CID 2382881) is 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is CFEHKMGPGYWWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-20-10-14-23(15-11-20)29-27(32)18-31(19-28(33)30-24-16-12-21(2)13-17-24)26-9-5-7-22-6-3-4-8-25(22)26/h3-17H,18-19H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 437.54 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2382881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).