1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea

C17H22N2O2 — CID 110892453

IUPAC1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
SMILESCCC(CO)NC(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-2-15(12-20)19-17(21)18-11-10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15,20H,2,10-12H2,1H3,(H2,18,19,21)
InChIKeyZXQFPYIPUQBWRP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.45
Rot. Bonds6

About 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea

1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea (PubChem CID 110892453) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
PubChem CID110892453
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
SMILESCCC(CO)NC(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2/c1-2-15(12-20)19-17(21)18-11-10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15,20H,2,10-12H2,1H3,(H2,18,19,21)
InChIKeyZXQFPYIPUQBWRP-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 48718367
1-[2-(4-bromophenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 108902377
(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 125469777
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
1-(1-hydroxybutan-2-yl)-3-(2-phenoxyethyl)urea
CID 75816995
1-(1-hydroxybutan-2-yl)-3-(2-phenylsulfanylethyl)urea
CID 110892414
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
1-[(2S)-1-hydroxybutan-2-yl]-3-propylurea
CID 104981803
1-(1-hydroxypropan-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 110910304

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea (CID 110892453) is 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea is CCC(CO)NC(=O)NCCc1cccc2ccccc12.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea?
The InChIKey is ZXQFPYIPUQBWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-15(12-20)19-17(21)18-11-10-14-8-5-7-13-6-3-4-9-16(13)14/h3-9,15,20H,2,10-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea?
1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea has a molecular weight of 286.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 110892453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).