N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide

C14H20N2O3 — CID 44902382

IUPACN-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-10(2)8-15-13(17)14(18)16-9-11-5-4-6-12(7-11)19-3/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYTJDWXNCYVWUOZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.08
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide

N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide (PubChem CID 44902382) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
PubChem CID44902382
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
SMILESCOc1cccc(CNC(=O)C(=O)NCC(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-10(2)8-15-13(17)14(18)16-9-11-5-4-6-12(7-11)19-3/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYTJDWXNCYVWUOZ-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
(Z)-2-cyano-3-[(3-methoxyphenyl)methylamino]-N-(2-methylpropyl)prop-2-enamide
CID 108833136
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
N-[(3-methoxyphenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144909
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-(2-methylpropyl)-1,2-thiazole-3,5-dicarboxamide
CID 53134287
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187724

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide (CID 44902382) is N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide is COc1cccc(CNC(=O)C(=O)NCC(C)C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide?
The InChIKey is YTJDWXNCYVWUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)8-15-13(17)14(18)16-9-11-5-4-6-12(7-11)19-3/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide?
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide has a molecular weight of 264.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 44902382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).