N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide

C14H17N3O2 — CID 43315674

IUPACN-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCC#N
InChIInChI=1S/C14H17N3O2/c1-3-10-6-5-7-11(4-2)12(10)17-14(19)13(18)16-9-8-15/h5-7H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBZEOISNLOILKTB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds4

About N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide

N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide (PubChem CID 43315674) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
PubChem CID43315674
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCC#N
InChIInChI=1S/C14H17N3O2/c1-3-10-6-5-7-11(4-2)12(10)17-14(19)13(18)16-9-8-15/h5-7H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBZEOISNLOILKTB-UHFFFAOYSA-N
XLogP1.39
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511372
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669792
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea
CID 14198984
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377
N-(2,6-diethylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108511574
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893782

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide (CID 43315674) is N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide is CCc1cccc(CC)c1NC(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide?
The InChIKey is BZEOISNLOILKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10-6-5-7-11(4-2)12(10)17-14(19)13(18)16-9-8-15/h5-7H,3-4,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide?
N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide has a molecular weight of 259.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide is sourced from PubChem (CID 43315674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).