3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide

C15H24N2O — CID 109013160

IUPAC3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCNC(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-4-12(3)16-11-10-15(18)17-14-8-6-13(5-2)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyOAYRFBLNQQTAPI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.97
Rot. Bonds7

About 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide

3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide (PubChem CID 109013160) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
PubChem CID109013160
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCNC(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-4-12(3)16-11-10-15(18)17-14-8-6-13(5-2)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyOAYRFBLNQQTAPI-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide 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-(3-bromo-4-methylphenyl)-3-(butan-2-ylamino)propanamide
CID 109013184
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
3-(butan-2-ylamino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 109013179
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
4-cyano-N-(4-ethylphenyl)-5-methylhexanamide
CID 112516687
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide (CID 109013160) is 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCNC(C)CC)cc1.
What is the InChIKey of 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide?
The InChIKey is OAYRFBLNQQTAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12(3)16-11-10-15(18)17-14-8-6-13(5-2)7-9-14/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide?
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 109013160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).