N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide

C15H22N2O4 — CID 38004607

IUPACN-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCNC(C)=O)c1
InChIInChI=1S/C15H22N2O4/c1-11(18)16-8-9-17-15(19)7-4-12-10-13(20-2)5-6-14(12)21-3/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLVIQZAREXWQBGI-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.89
Rot. Bonds8

About N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide

N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide (PubChem CID 38004607) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
PubChem CID38004607
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCNC(C)=O)c1
InChIInChI=1S/C15H22N2O4/c1-11(18)16-8-9-17-15(19)7-4-12-10-13(20-2)5-6-14(12)21-3/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyLVIQZAREXWQBGI-UHFFFAOYSA-N
XLogP0.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38501975
N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide
CID 25495501
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide (CID 38004607) is N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(CCC(=O)NCCNC(C)=O)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is LVIQZAREXWQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(18)16-8-9-17-15(19)7-4-12-10-13(20-2)5-6-14(12)21-3/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide?
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 38004607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).