1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea

C15H18N2O2 — CID 110910304

IUPAC1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
SMILESCC(CO)NC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-11(10-18)17-15(19)16-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,18H,9-10H2,1H3,(H2,16,17,19)
InChIKeyFYKGWVIVYZHDRU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.02
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea

1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 110910304) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID110910304
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
SMILESCC(CO)NC(=O)NCc1cccc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-11(10-18)17-15(19)16-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,18H,9-10H2,1H3,(H2,16,17,19)
InChIKeyFYKGWVIVYZHDRU-UHFFFAOYSA-N
XLogP2.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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N-hydroxy-4-methyl-2-(naphthalen-1-ylmethylcarbamoylamino)pentanamide
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CID 27185701
1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 110307002
1-N-(naphthalen-1-ylmethyl)-1-N'-propan-2-ylethene-1,1-diamine
CID 122547209
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
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1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
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CID 115596941

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea (CID 110910304) is 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea is CC(CO)NC(=O)NCc1cccc2ccccc12.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is FYKGWVIVYZHDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(10-18)17-15(19)16-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,11,18H,9-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea?
1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 110910304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).