1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea

C23H25N3O — CID 20897563

IUPAC1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NC1=C(C#N)C(C)(CC)Cc2ccccc21
InChIInChI=1S/C23H25N3O/c1-4-16-10-7-9-13-20(16)25-22(27)26-21-18-12-8-6-11-17(18)14-23(3,5-2)19(21)15-24/h6-13H,4-5,14H2,1-3H3,(H2,25,26,27)
InChIKeyGADZGXLUFBMJJQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.28
Rot. Bonds4

About 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea

1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea (PubChem CID 20897563) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea
PubChem CID20897563
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NC1=C(C#N)C(C)(CC)Cc2ccccc21
InChIInChI=1S/C23H25N3O/c1-4-16-10-7-9-13-20(16)25-22(27)26-21-18-12-8-6-11-17(18)14-23(3,5-2)19(21)15-24/h6-13H,4-5,14H2,1-3H3,(H2,25,26,27)
InChIKeyGADZGXLUFBMJJQ-UHFFFAOYSA-N
XLogP5.28
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 26823673
1-[(3S)-2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl]-3-(2-methoxyphenyl)urea
CID 26823664
1-(3-chlorophenyl)-3-[(3R)-2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl]urea
CID 26823647
1-butyl-3-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)urea
CID 26823613
(3S)-N-(2-ethylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 944283
1-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-3-methylurea
CID 29136827
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
N-(2-ethylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 71620607
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea?
The IUPAC name of 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea (CID 20897563) is 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NC1=C(C#N)C(C)(CC)Cc2ccccc21.
What is the InChIKey of 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea?
The InChIKey is GADZGXLUFBMJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-4-16-10-7-9-13-20(16)25-22(27)26-21-18-12-8-6-11-17(18)14-23(3,5-2)19(21)15-24/h6-13H,4-5,14H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea?
1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea has a molecular weight of 359.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-3-ethyl-3-methyl-4H-naphthalen-1-yl)-3-(2-ethylphenyl)urea is sourced from PubChem (CID 20897563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).