3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide

C17H26N2O2 — CID 113116212

IUPAC3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(C(C)=O)C(C)CC)cc1
InChIInChI=1S/C17H26N2O2/c1-5-13(3)19(14(4)20)12-11-17(21)18-16-9-7-15(6-2)8-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)
InChIKeyIIESJCICVPTURQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.22
Rot. Bonds7

About 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide

3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide (PubChem CID 113116212) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
PubChem CID113116212
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(C(C)=O)C(C)CC)cc1
InChIInChI=1S/C17H26N2O2/c1-5-13(3)19(14(4)20)12-11-17(21)18-16-9-7-15(6-2)8-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)
InChIKeyIIESJCICVPTURQ-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 113116238
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
CID 109013160
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide (CID 113116212) is 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(C(C)=O)C(C)CC)cc1.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is IIESJCICVPTURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-13(3)19(14(4)20)12-11-17(21)18-16-9-7-15(6-2)8-10-16/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide?
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113116212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).