1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea

C17H22N2O2 — CID 111925797

IUPAC1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea
SMILESCCCC(C)(CO)NC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O2/c1-3-10-17(2,12-20)19-16(21)18-15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,20H,3,10,12H2,1-2H3,(H2,18,19,21)
InChIKeyHRDFUDNIVHJDJD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.51
Rot. Bonds5

About 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea

1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea (PubChem CID 111925797) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea
PubChem CID111925797
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea
SMILESCCCC(C)(CO)NC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O2/c1-3-10-17(2,12-20)19-16(21)18-15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,20H,3,10,12H2,1-2H3,(H2,18,19,21)
InChIKeyHRDFUDNIVHJDJD-UHFFFAOYSA-N
XLogP3.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119
1-(6-chloro-3-pyridinyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111630107
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 111926171
1-(4-tert-butylphenyl)-3-naphthalen-2-ylurea
CID 108884834
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754574
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(4-butylphenyl)-3-naphthalen-2-ylurea
CID 17265768
1-(2,3-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111926195
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111430082
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111754474
1-(2-chloro-4-methoxyphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754789
1-(4-fluoro-2-methylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754450

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea (CID 111925797) is 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea is CCCC(C)(CO)NC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea?
The InChIKey is HRDFUDNIVHJDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-10-17(2,12-20)19-16(21)18-15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11,20H,3,10,12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea?
1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea has a molecular weight of 286.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 111925797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).