1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea

C16H20N2O2 — CID 111337415

IUPAC1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
SMILESCC(O)CCNC(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O2/c1-12(19)8-9-17-16(20)18-11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12,19H,8-9,11H2,1H3,(H2,17,18,20)
InChIKeyFCJJGWDYRXMKQY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.41
Rot. Bonds5

About 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea

1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea (PubChem CID 111337415) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
PubChem CID111337415
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
SMILESCC(O)CCNC(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O2/c1-12(19)8-9-17-16(20)18-11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12,19H,8-9,11H2,1H3,(H2,17,18,20)
InChIKeyFCJJGWDYRXMKQY-UHFFFAOYSA-N
XLogP2.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-(naphthalen-2-ylmethyl)urea
CID 97227616
(4S)-4-methyl-5-(naphthalen-2-ylmethylamino)-5-oxopentanethioic S-acid
CID 156702494
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea
CID 111414486
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
CID 111444232
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
N-(naphthalen-2-ylmethyl)-2-oxoacetamide
CID 54357597

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea (CID 111337415) is 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea is CC(O)CCNC(=O)NCc1ccc2ccccc2c1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea?
The InChIKey is FCJJGWDYRXMKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(19)8-9-17-16(20)18-11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12,19H,8-9,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea?
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea has a molecular weight of 272.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea is sourced from PubChem (CID 111337415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).