N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide

C15H24N2O2 — CID 54928721

IUPACN-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
SMILESCCOc1ccc(NC(=O)CCCNC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-9-7-13(8-10-14)17-15(18)6-5-11-16-12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyIYXOFMISVBJITH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.80
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide

N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide (PubChem CID 54928721) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
PubChem CID54928721
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
SMILESCCOc1ccc(NC(=O)CCCNC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-9-7-13(8-10-14)17-15(18)6-5-11-16-12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyIYXOFMISVBJITH-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide 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

N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide
CID 60849921
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
CID 109012855
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
[4-[4-(propan-2-ylamino)butanoylamino]phenyl]methyl acetate
CID 144997484
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide (CID 54928721) is N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide is CCOc1ccc(NC(=O)CCCNC(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is IYXOFMISVBJITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-9-7-13(8-10-14)17-15(18)6-5-11-16-12(2)3/h7-10,12,16H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide?
N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54928721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).