N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide

C14H20N2O4 — CID 30597310

IUPACN-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCNC(C)=O)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-10(17)15-6-7-16-14(18)8-11-4-5-12(19-2)9-13(11)20-3/h4-5,9H,6-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNSSOKPNFSZZHIJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.50
Rot. Bonds7

About N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide

N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 30597310) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID30597310
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCNC(C)=O)c(OC)c1
InChIInChI=1S/C14H20N2O4/c1-10(17)15-6-7-16-14(18)8-11-4-5-12(19-2)9-13(11)20-3/h4-5,9H,6-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNSSOKPNFSZZHIJ-UHFFFAOYSA-N
XLogP0.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.50
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

2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031383
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65032208
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide (CID 30597310) is N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCCNC(C)=O)c(OC)c1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is NSSOKPNFSZZHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(17)15-6-7-16-14(18)8-11-4-5-12(19-2)9-13(11)20-3/h4-5,9H,6-8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide?
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 30597310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).