N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide

C15H22N2O3 — CID 108983990

IUPACN'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCCC(C)NC(=O)C(=O)NCCc1ccccc1OC
InChIInChI=1S/C15H22N2O3/c1-4-11(2)17-15(19)14(18)16-10-9-12-7-5-6-8-13(12)20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyRHRUABRGCCHFJJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds6

About N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide

N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide (PubChem CID 108983990) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
PubChem CID108983990
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCCC(C)NC(=O)C(=O)NCCc1ccccc1OC
InChIInChI=1S/C15H22N2O3/c1-4-11(2)17-15(19)14(18)16-10-9-12-7-5-6-8-13(12)20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyRHRUABRGCCHFJJ-UHFFFAOYSA-N
XLogP1.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]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-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-butan-2-yl-3-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 111338896
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 106261293
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide (CID 108983990) is N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide is CCC(C)NC(=O)C(=O)NCCc1ccccc1OC.
What is the InChIKey of N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The InChIKey is RHRUABRGCCHFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-11(2)17-15(19)14(18)16-10-9-12-7-5-6-8-13(12)20-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide?
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108983990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).