1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea

C18H24N2O2 — CID 111453999

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea
SMILESCC(NC(=O)NC(C)C(C)CO)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O2/c1-12(11-21)13(2)19-18(22)20-14(3)16-9-8-15-6-4-5-7-17(15)10-16/h4-10,12-14,21H,11H2,1-3H3,(H2,19,20,22)
InChIKeyKABNDRYAADIKDP-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.22
Rot. Bonds5

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea (PubChem CID 111453999) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea
PubChem CID111453999
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea
SMILESCC(NC(=O)NC(C)C(C)CO)c1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O2/c1-12(11-21)13(2)19-18(22)20-14(3)16-9-8-15-6-4-5-7-17(15)10-16/h4-10,12-14,21H,11H2,1-3H3,(H2,19,20,22)
InChIKeyKABNDRYAADIKDP-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454370
2-[2-hydroxyethyl(methyl)amino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 110880775
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea (CID 111453999) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea is CC(NC(=O)NC(C)C(C)CO)c1ccc2ccccc2c1.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea?
The InChIKey is KABNDRYAADIKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(11-21)13(2)19-18(22)20-14(3)16-9-8-15-6-4-5-7-17(15)10-16/h4-10,12-14,21H,11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea has a molecular weight of 300.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea is sourced from PubChem (CID 111453999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).