2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide

C16H24N2O3 — CID 113173563

IUPAC2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-5-6-11-17-16(20)12-18(13(2)19)14-7-9-15(21-3)10-8-14/h7-10H,4-6,11-12H2,1-3H3,(H,17,20)
InChIKeyZDLWWVHUQKKZBC-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.35
Rot. Bonds8

About 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide

2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide (PubChem CID 113173563) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
PubChem CID113173563
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-5-6-11-17-16(20)12-18(13(2)19)14-7-9-15(21-3)10-8-14/h7-10H,4-6,11-12H2,1-3H3,(H,17,20)
InChIKeyZDLWWVHUQKKZBC-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide 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-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543
2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
CID 113177439
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
CID 113179147
2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113176865
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
CID 113179396
2-(N-acetyl-4-methoxyanilino)-N-propan-2-ylacetamide
CID 113173486
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
2-(N,3-diacetylanilino)-N-pentylacetamide
CID 113175445

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide?
The IUPAC name of 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide (CID 113173563) is 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide?
The canonical SMILES for 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide is CCCCCNC(=O)CN(C(C)=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide?
The InChIKey is ZDLWWVHUQKKZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-5-6-11-17-16(20)12-18(13(2)19)14-7-9-15(21-3)10-8-14/h7-10H,4-6,11-12H2,1-3H3,(H,17,20).
What are the key properties of 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide?
2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide has a molecular weight of 292.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide is sourced from PubChem (CID 113173563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).