1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea

C14H18N4O2 — CID 14198984

IUPAC1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)NNC(=O)CC#N
InChIInChI=1S/C14H18N4O2/c1-3-10-6-5-7-11(4-2)13(10)16-14(20)18-17-12(19)8-9-15/h5-7H,3-4,8H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyCDIQSWHEYKSKHC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.88
Rot. Bonds4

About 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea

1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea (PubChem CID 14198984) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea.

Molecular Properties

Compound Name1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea
PubChem CID14198984
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)NNC(=O)CC#N
InChIInChI=1S/C14H18N4O2/c1-3-10-6-5-7-11(4-2)13(10)16-14(20)18-17-12(19)8-9-15/h5-7H,3-4,8H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyCDIQSWHEYKSKHC-UHFFFAOYSA-N
XLogP1.88
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490
1-[(2-cyanoacetyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 3539106
N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
CID 43315674
4-cyano-N-(2,6-diethylphenyl)benzamide
CID 2592061
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
4-cyano-N-(2,6-diethylphenyl)pentanamide
CID 112516692
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-amino-N'-(2-cyanoacetyl)benzohydrazide
CID 130018027
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911333
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea?
The IUPAC name of 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea (CID 14198984) is 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea.
What is the SMILES notation for 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea?
The canonical SMILES for 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea is CCc1cccc(CC)c1NC(=O)NNC(=O)CC#N.
What is the InChIKey of 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea?
The InChIKey is CDIQSWHEYKSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-10-6-5-7-11(4-2)13(10)16-14(20)18-17-12(19)8-9-15/h5-7H,3-4,8H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea?
1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea is sourced from PubChem (CID 14198984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).