3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide

C16H24N2O4 — CID 113115251

IUPAC3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)C(C)C)c(OC)c1
InChIInChI=1S/C16H24N2O4/c1-11(2)18(12(3)19)9-8-16(20)17-14-7-6-13(21-4)10-15(14)22-5/h6-7,10-11H,8-9H2,1-5H3,(H,17,20)
InChIKeyZPBSIHTTWTVSMT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.29
Rot. Bonds7

About 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide

3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 113115251) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID113115251
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)C(C)C)c(OC)c1
InChIInChI=1S/C16H24N2O4/c1-11(2)18(12(3)19)9-8-16(20)17-14-7-6-13(21-4)10-15(14)22-5/h6-7,10-11H,8-9H2,1-5H3,(H,17,20)
InChIKeyZPBSIHTTWTVSMT-UHFFFAOYSA-N
XLogP2.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669
3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113135609
N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
CID 38956787
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
CID 141249882
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912912

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide (CID 113115251) is 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)C(C)C)c(OC)c1.
What is the InChIKey of 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is ZPBSIHTTWTVSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)18(12(3)19)9-8-16(20)17-14-7-6-13(21-4)10-15(14)22-5/h6-7,10-11H,8-9H2,1-5H3,(H,17,20).
What are the key properties of 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide?
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113115251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).