N-acetyl-3-(2,4-dimethoxyphenyl)propanamide

C13H17NO4 — CID 171779335

IUPACN-acetyl-3-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)=O)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-9(15)14-13(16)7-5-10-4-6-11(17-2)8-12(10)18-3/h4,6,8H,5,7H2,1-3H3,(H,14,15,16)
InChIKeyOYJXNICYFWOOHT-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.30
Rot. Bonds5

About N-acetyl-3-(2,4-dimethoxyphenyl)propanamide

N-acetyl-3-(2,4-dimethoxyphenyl)propanamide (PubChem CID 171779335) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-acetyl-3-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-acetyl-3-(2,4-dimethoxyphenyl)propanamide
PubChem CID171779335
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-acetyl-3-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)=O)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-9(15)14-13(16)7-5-10-4-6-11(17-2)8-12(10)18-3/h4,6,8H,5,7H2,1-3H3,(H,14,15,16)
InChIKeyOYJXNICYFWOOHT-UHFFFAOYSA-N
XLogP1.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
2-(2,4-dimethoxyphenyl)ethanesulfinic acid
CID 68550384
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 115191281
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
4-[3-[2-(2,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182295
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051
3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide
CID 91005120

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-acetyl-3-(2,4-dimethoxyphenyl)propanamide (CID 171779335) is N-acetyl-3-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-acetyl-3-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-acetyl-3-(2,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(C)=O)c(OC)c1.
What is the InChIKey of N-acetyl-3-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is OYJXNICYFWOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(15)14-13(16)7-5-10-4-6-11(17-2)8-12(10)18-3/h4,6,8H,5,7H2,1-3H3,(H,14,15,16).
What are the key properties of N-acetyl-3-(2,4-dimethoxyphenyl)propanamide?
N-acetyl-3-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 251.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 171779335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).