1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea

C15H18N2O3 — CID 66170746

IUPAC1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
SMILESCC(O)(CO)CNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H18N2O3/c1-15(20,10-18)9-16-14(19)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,18,20H,9-10H2,1H3,(H2,16,17,19)
InChIKeyCBEMSRIYUCHAKZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.70
Rot. Bonds4

About 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea

1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea (PubChem CID 66170746) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
PubChem CID66170746
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
SMILESCC(O)(CO)CNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H18N2O3/c1-15(20,10-18)9-16-14(19)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,18,20H,9-10H2,1H3,(H2,16,17,19)
InChIKeyCBEMSRIYUCHAKZ-UHFFFAOYSA-N
XLogP1.70
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
CID 107258515
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-(2,4-difluorophenyl)-3-(2,3-dihydroxy-2-methylpropyl)urea
CID 66168207
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea
CID 108911459

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea (CID 66170746) is 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea is CC(O)(CO)CNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea?
The InChIKey is CBEMSRIYUCHAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(20,10-18)9-16-14(19)17-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,18,20H,9-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea?
1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea has a molecular weight of 274.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxy-2-methylpropyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 66170746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).