N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide

C13H16N2O3 — CID 578186

IUPACN'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)8-14-12(16)13(17)15-10-6-7-10/h2-5,10H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyCJPNFIDNDROJMJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.59
Rot. Bonds4

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

N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 578186) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID578186
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)8-14-12(16)13(17)15-10-6-7-10/h2-5,10H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyCJPNFIDNDROJMJ-UHFFFAOYSA-N
XLogP0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886626
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
2-amino-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54925372

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide (CID 578186) is N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is CJPNFIDNDROJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)8-14-12(16)13(17)15-10-6-7-10/h2-5,10H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide?
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 248.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 578186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).