N-butyl-N'-(2-methoxyphenyl)oxamide

C13H18N2O3 — CID 2247832

IUPACN-butyl-N'-(2-methoxyphenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccccc1OC
InChIInChI=1S/C13H18N2O3/c1-3-4-9-14-12(16)13(17)15-10-7-5-6-8-11(10)18-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyYPDDIRAGABCAFA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.55
Rot. Bonds5

About N-butyl-N'-(2-methoxyphenyl)oxamide

N-butyl-N'-(2-methoxyphenyl)oxamide (PubChem CID 2247832) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-butyl-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(2-methoxyphenyl)oxamide
PubChem CID2247832
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-butyl-N'-(2-methoxyphenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccccc1OC
InChIInChI=1S/C13H18N2O3/c1-3-4-9-14-12(16)13(17)15-10-7-5-6-8-11(10)18-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyYPDDIRAGABCAFA-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
N-butyl-N'-(2-methoxyphenyl)propanediamide
CID 108941476
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
N-butyl-N'-(2-hydroxyphenyl)oxamide
CID 108505091
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 7541654
N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
CID 43316144
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-butyl-N'-(2-methoxyphenyl)oxamide (CID 2247832) is N-butyl-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-butyl-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-butyl-N'-(2-methoxyphenyl)oxamide is CCCCNC(=O)C(=O)Nc1ccccc1OC.
What is the InChIKey of N-butyl-N'-(2-methoxyphenyl)oxamide?
The InChIKey is YPDDIRAGABCAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-4-9-14-12(16)13(17)15-10-7-5-6-8-11(10)18-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-butyl-N'-(2-methoxyphenyl)oxamide?
N-butyl-N'-(2-methoxyphenyl)oxamide has a molecular weight of 250.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 2247832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).