1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea

C17H20N2O — CID 108911462

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
SMILESCC(C)(C)/C=C/NC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O/c1-17(2,3)10-11-18-16(20)19-15-9-8-13-6-4-5-7-14(13)12-15/h4-12H,1-3H3,(H2,18,19,20)/b11-10+
InChIKeyOLTKGOJTCISLCY-ZHACJKMWSA-N
MW268.36 g/mol
LogP4.52
Rot. Bonds2

About 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea

1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea (PubChem CID 108911462) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
PubChem CID108911462
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
SMILESCC(C)(C)/C=C/NC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O/c1-17(2,3)10-11-18-16(20)19-15-9-8-13-6-4-5-7-14(13)12-15/h4-12H,1-3H3,(H2,18,19,20)/b11-10+
InChIKeyOLTKGOJTCISLCY-ZHACJKMWSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
CID 108907013
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
2-methyl-2-(naphthalen-2-ylamino)propanoic acid
CID 69497419
4-[(Z)-4,4-dimethylpent-2-en-2-yl]-N-naphthalen-2-ylbenzamide
CID 59811285
(Z)-4-(naphthalen-2-ylamino)pent-3-en-2-one
CID 7335849
1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea
CID 111925797

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea (CID 108911462) is 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea is CC(C)(C)/C=C/NC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea?
The InChIKey is OLTKGOJTCISLCY-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)10-11-18-16(20)19-15-9-8-13-6-4-5-7-14(13)12-15/h4-12H,1-3H3,(H2,18,19,20)/b11-10+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea?
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea has a molecular weight of 268.36 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 108911462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).