N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide

C13H18N2O3 — CID 91715659

IUPACN-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
SMILESCOc1ccc(N(CCNC(C)=O)C(C)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-10(16)14-8-9-15(11(2)17)12-4-6-13(18-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKeyAUOCQGQXTPOYJL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.18
Rot. Bonds5

About N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide

N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide (PubChem CID 91715659) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
PubChem CID91715659
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
SMILESCOc1ccc(N(CCNC(C)=O)C(C)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-10(16)14-8-9-15(11(2)17)12-4-6-13(18-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKeyAUOCQGQXTPOYJL-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-acetyl-4-methoxyanilino)ethyl]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

methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054
ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113063225
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide?
The IUPAC name of N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide (CID 91715659) is N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide is COc1ccc(N(CCNC(C)=O)C(C)=O)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide?
The InChIKey is AUOCQGQXTPOYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(16)14-8-9-15(11(2)17)12-4-6-13(18-3)7-5-12/h4-7H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide?
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide is sourced from PubChem (CID 91715659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).