N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide

C14H20N2O3 — CID 6618309

IUPACN'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C14H20N2O3/c1-10-5-6-11(2)12(9-10)16-14(18)13(17)15-7-4-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyZCZOHVJETPACAH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds5

About N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide

N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide (PubChem CID 6618309) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
PubChem CID6618309
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C14H20N2O3/c1-10-5-6-11(2)12(9-10)16-14(18)13(17)15-7-4-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyZCZOHVJETPACAH-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
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-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691
(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836770
N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 47148013
N'-[(Z)-[2-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126170691
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
CID 110675983
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide (CID 6618309) is N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide?
The InChIKey is ZCZOHVJETPACAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-6-11(2)12(9-10)16-14(18)13(17)15-7-4-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide?
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide has a molecular weight of 264.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 6618309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).