2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide

C14H21N3O4 — CID 60848971

IUPAC2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)CN)cc1OC
InChIInChI=1S/C14H21N3O4/c1-20-11-4-3-10(7-12(11)21-2)5-6-16-14(19)9-17-13(18)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOCFWPNLWPJZIQI-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.56
Rot. Bonds8

About 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide (PubChem CID 60848971) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
PubChem CID60848971
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CNC(=O)CN)cc1OC
InChIInChI=1S/C14H21N3O4/c1-20-11-4-3-10(7-12(11)21-2)5-6-16-14(19)9-17-13(18)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOCFWPNLWPJZIQI-UHFFFAOYSA-N
XLogP-0.56
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 78908694
2-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112994029
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
N-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 28569763
2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 40684742
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide (CID 60848971) is 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide is COc1ccc(CCNC(=O)CNC(=O)CN)cc1OC.
What is the InChIKey of 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide?
The InChIKey is OCFWPNLWPJZIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-20-11-4-3-10(7-12(11)21-2)5-6-16-14(19)9-17-13(18)8-15/h3-4,7H,5-6,8-9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of -0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60848971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).