N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide

C12H17N3O4 — CID 43315993

IUPACN-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCN)cc1OC
InChIInChI=1S/C12H17N3O4/c1-18-9-4-3-8(7-10(9)19-2)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVYRSGQNOAZHULX-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.28
Rot. Bonds5

About N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide

N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide (PubChem CID 43315993) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
PubChem CID43315993
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCCN)cc1OC
InChIInChI=1S/C12H17N3O4/c1-18-9-4-3-8(7-10(9)19-2)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVYRSGQNOAZHULX-UHFFFAOYSA-N
XLogP-0.28
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
(3,4-dimethoxyphenyl)urea
CID 21197430
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
CID 43316047
N'-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)oxamide
CID 45000696
N'-(3,4-dimethoxyphenyl)-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892103

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide (CID 43315993) is N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCCN)cc1OC.
What is the InChIKey of N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide?
The InChIKey is VYRSGQNOAZHULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-18-9-4-3-8(7-10(9)19-2)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide?
N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide has a molecular weight of 267.28 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(3,4-dimethoxyphenyl)oxamide is sourced from PubChem (CID 43315993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).