N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide

C14H19N3O4 — CID 108515609

IUPACN'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N(CCN)C(C)=O
InChIInChI=1S/C14H19N3O4/c1-9-4-5-12(21-3)11(8-9)16-13(19)14(20)17(7-6-15)10(2)18/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyUXQPLDHYNPKFHM-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.28
Rot. Bonds4

About N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide

N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 108515609) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide
PubChem CID108515609
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N(CCN)C(C)=O
InChIInChI=1S/C14H19N3O4/c1-9-4-5-12(21-3)11(8-9)16-13(19)14(20)17(7-6-15)10(2)18/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyUXQPLDHYNPKFHM-UHFFFAOYSA-N
XLogP0.28
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
methyl 3-(2-methoxy-5-methylanilino)but-2-enoate
CID 156769346
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108515639
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83824605
N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500601
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113130389
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 108515529
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide (CID 108515609) is N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)N(CCN)C(C)=O.
What is the InChIKey of N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is UXQPLDHYNPKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-4-5-12(21-3)11(8-9)16-13(19)14(20)17(7-6-15)10(2)18/h4-5,8H,6-7,15H2,1-3H3,(H,16,19).
What are the key properties of N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide?
N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 293.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(2-aminoethyl)-N-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108515609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).