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

C16H24N2O3 — CID 113116238

IUPAC3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1cccc(OC)c1)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-5-12(2)18(13(3)19)10-9-16(20)17-14-7-6-8-15(11-14)21-4/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,20)
InChIKeyJOMFAFUUXNWSCV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.67
Rot. Bonds7

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

3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide (PubChem CID 113116238) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
PubChem CID113116238
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1cccc(OC)c1)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-5-12(2)18(13(3)19)10-9-16(20)17-14-7-6-8-15(11-14)21-4/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,20)
InChIKeyJOMFAFUUXNWSCV-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
2-[[3-(3-methoxyanilino)-3-oxopropyl]-methylamino]propanoic acid;hydrochloride
CID 119913523
3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122548
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556475
3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699212
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide (CID 113116238) is 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide is CCC(C)N(CCC(=O)Nc1cccc(OC)c1)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is JOMFAFUUXNWSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-12(2)18(13(3)19)10-9-16(20)17-14-7-6-8-15(11-14)21-4/h6-8,11-12H,5,9-10H2,1-4H3,(H,17,20).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide?
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 113116238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).