1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea

C19H25N3O — CID 26823610

IUPAC1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea
SMILESCCCNC(=O)NC1=C(C#N)C(CC)(CC)Cc2ccccc21
InChIInChI=1S/C19H25N3O/c1-4-11-21-18(23)22-17-15-10-8-7-9-14(15)12-19(5-2,6-3)16(17)13-20/h7-10H,4-6,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyGIJGSQQRJBOXJV-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.99
Rot. Bonds5

About 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea

1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea (PubChem CID 26823610) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea
PubChem CID26823610
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea
SMILESCCCNC(=O)NC1=C(C#N)C(CC)(CC)Cc2ccccc21
InChIInChI=1S/C19H25N3O/c1-4-11-21-18(23)22-17-15-10-8-7-9-14(15)12-19(5-2,6-3)16(17)13-20/h7-10H,4-6,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyGIJGSQQRJBOXJV-UHFFFAOYSA-N
XLogP3.99
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4310916
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CID 602873
1-Methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 2832740
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Urea, 1-(3-indenyl)-3-propyl-
CID 209743
Urea, 1-(3-indenyl)-3-isopropyl-
CID 209745
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CID 209749
1-[1-(4-Cyanophenyl)ethyl]-3-cyclopentylurea
CID 45887049
1-[(4-Tert-butylphenyl)methyl]-3-ethylurea
CID 46839246
1-(2-Cyanoethyl)-1-cyclohexyl-3-(1-phenylethyl)urea
CID 172433510
N-{[(3S,4R)-1-(2-cyanobenzyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}-N'-methylurea
CID 91920984

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea?
The IUPAC name of 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea (CID 26823610) is 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea.
What is the SMILES notation for 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea?
The canonical SMILES for 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea is CCCNC(=O)NC1=C(C#N)C(CC)(CC)Cc2ccccc21.
What is the InChIKey of 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea?
The InChIKey is GIJGSQQRJBOXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-11-21-18(23)22-17-15-10-8-7-9-14(15)12-19(5-2,6-3)16(17)13-20/h7-10H,4-6,11-12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea?
1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea has a molecular weight of 311.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-3,3-diethyl-4H-naphthalen-1-yl)-3-propylurea is sourced from PubChem (CID 26823610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).