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

C17H20N2O — CID 108911459

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea
SMILESCC(C)(C)/C=C/NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-17(2,3)11-12-18-16(20)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3,(H2,18,19,20)/b12-11+
InChIKeyPZLWQYVQSZVYFN-VAWYXSNFSA-N
MW268.36 g/mol
LogP4.52
Rot. Bonds2

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

1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea (PubChem CID 108911459) 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-1-ylurea.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea
PubChem CID108911459
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea
SMILESCC(C)(C)/C=C/NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-17(2,3)11-12-18-16(20)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3,(H2,18,19,20)/b12-11+
InChIKeyPZLWQYVQSZVYFN-VAWYXSNFSA-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-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
1-naphthalen-1-yl-3-prop-2-enoxyurea
CID 4604383
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-(2,6-dichlorophenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911530
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 66170746
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea (CID 108911459) is 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea is CC(C)(C)/C=C/NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea?
The InChIKey is PZLWQYVQSZVYFN-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)11-12-18-16(20)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3,(H2,18,19,20)/b12-11+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea?
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-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-1-ylurea is sourced from PubChem (CID 108911459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).