1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea

C17H22N2O2 — CID 79378172

IUPAC1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
SMILESCCN(CC(C)(C)O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-4-19(12-17(2,3)21)16(20)18-15-11-7-9-13-8-5-6-10-14(13)15/h5-11,21H,4,12H2,1-3H3,(H,18,20)
InChIKeyLWRZWUZEFJZKDS-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.46
Rot. Bonds4

About 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea

1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea (PubChem CID 79378172) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
PubChem CID79378172
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
SMILESCCN(CC(C)(C)O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-4-19(12-17(2,3)21)16(20)18-15-11-7-9-13-8-5-6-10-14(13)15/h5-11,21H,4,12H2,1-3H3,(H,18,20)
InChIKeyLWRZWUZEFJZKDS-UHFFFAOYSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
CID 2450964
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
4-chloro-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]benzoic acid
CID 79379273
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111926113
1-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)isoquinoline-3-carboxamide
CID 79380171
2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
CID 60884850
3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790631

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea (CID 79378172) is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea is CCN(CC(C)(C)O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea?
The InChIKey is LWRZWUZEFJZKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-19(12-17(2,3)21)16(20)18-15-11-7-9-13-8-5-6-10-14(13)15/h5-11,21H,4,12H2,1-3H3,(H,18,20).
What are the key properties of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea?
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea has a molecular weight of 286.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 79378172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).