1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea

C16H24N2O2 — CID 111506748

IUPAC1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
SMILESCN(C(=O)NCC(CCO)c1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O2/c1-18(15-8-5-9-15)16(20)17-12-14(10-11-19)13-6-3-2-4-7-13/h2-4,6-7,14-15,19H,5,8-12H2,1H3,(H,17,20)
InChIKeyRRIFEURAFFKBHM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds6

About 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea

1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea (PubChem CID 111506748) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
PubChem CID111506748
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
SMILESCN(C(=O)NCC(CCO)c1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O2/c1-18(15-8-5-9-15)16(20)17-12-14(10-11-19)13-6-3-2-4-7-13/h2-4,6-7,14-15,19H,5,8-12H2,1H3,(H,17,20)
InChIKeyRRIFEURAFFKBHM-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455932
1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 95907758
1-butan-2-yl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455889
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112831555
N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide
CID 119326534
N-(4-hydroxy-2-phenylbutyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 110012592
(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
CID 129467437
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
CID 111450668

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea?
The IUPAC name of 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea (CID 111506748) is 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea.
What is the SMILES notation for 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea?
The canonical SMILES for 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea is CN(C(=O)NCC(CCO)c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea?
The InChIKey is RRIFEURAFFKBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(15-8-5-9-15)16(20)17-12-14(10-11-19)13-6-3-2-4-7-13/h2-4,6-7,14-15,19H,5,8-12H2,1H3,(H,17,20).
What are the key properties of 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea?
1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea has a molecular weight of 276.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea is sourced from PubChem (CID 111506748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).