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

C17H26N2O3 — CID 113116142

IUPAC3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCC(C)N(CCC(=O)NCc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-5-13(2)19(14(3)20)11-10-17(21)18-12-15-6-8-16(22-4)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,18,21)
InChIKeyQHYBNATZUWORTI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.35
Rot. Bonds8

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

3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 113116142) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID113116142
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCC(C)N(CCC(=O)NCc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-5-13(2)19(14(3)20)11-10-17(21)18-12-15-6-8-16(22-4)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,18,21)
InChIKeyQHYBNATZUWORTI-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052674
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-[acetyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]propanamide
CID 113115145
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113116151
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 113116142) is 3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide is CCC(C)N(CCC(=O)NCc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is QHYBNATZUWORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-13(2)19(14(3)20)11-10-17(21)18-12-15-6-8-16(22-4)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,18,21).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide?
3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.35, 8 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-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113116142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).