2-(4-ethoxyanilino)-N,N-diethylbutanamide

C16H26N2O2 — CID 3027706

IUPAC2-(4-ethoxyanilino)-N,N-diethylbutanamide
SMILESCCOc1ccc(NC(CC)C(=O)N(CC)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-15(16(19)18(6-2)7-3)17-13-9-11-14(12-10-13)20-8-4/h9-12,15,17H,5-8H2,1-4H3
InChIKeyAPRHGFNLIHNOIP-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.14
Rot. Bonds8

About 2-(4-ethoxyanilino)-N,N-diethylbutanamide

2-(4-ethoxyanilino)-N,N-diethylbutanamide (PubChem CID 3027706) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N,N-diethylbutanamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N,N-diethylbutanamide
PubChem CID3027706
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(4-ethoxyanilino)-N,N-diethylbutanamide
SMILESCCOc1ccc(NC(CC)C(=O)N(CC)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-15(16(19)18(6-2)7-3)17-13-9-11-14(12-10-13)20-8-4/h9-12,15,17H,5-8H2,1-4H3
InChIKeyAPRHGFNLIHNOIP-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(4-ethoxyanilino)-N,N-diethylbutanamide 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

(2S)-2-(4-ethoxyanilino)-N-(1,3-thiazol-2-yl)butanamide
CID 8558609
N,N-diethyl-2-(4-methoxyanilino)propanamide
CID 43112882
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid
CID 67636325
2-(4-ethoxyanilino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 135782084
(2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 135850820
N-[(4-ethoxyphenyl)methyl]-N-ethyl-2-methoxybutanamide
CID 131938327
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
4-ethoxy-N-hexan-3-ylaniline
CID 21311782
2-(4-methoxyanilino)butanamide
CID 61005469
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
2-cyano-4-(4-ethoxyphenoxy)-N,N-diethylbutanamide
CID 82136881

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N,N-diethylbutanamide?
The IUPAC name of 2-(4-ethoxyanilino)-N,N-diethylbutanamide (CID 3027706) is 2-(4-ethoxyanilino)-N,N-diethylbutanamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N,N-diethylbutanamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N,N-diethylbutanamide is CCOc1ccc(NC(CC)C(=O)N(CC)CC)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N,N-diethylbutanamide?
The InChIKey is APRHGFNLIHNOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-15(16(19)18(6-2)7-3)17-13-9-11-14(12-10-13)20-8-4/h9-12,15,17H,5-8H2,1-4H3.
What are the key properties of 2-(4-ethoxyanilino)-N,N-diethylbutanamide?
2-(4-ethoxyanilino)-N,N-diethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N,N-diethylbutanamide is sourced from PubChem (CID 3027706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).