1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea

C15H22N2O2 — CID 111456098

IUPAC1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11-10-14(11)17-15(19)16-13(8-5-9-18)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,18H,5,8-10H2,1H3,(H2,16,17,19)
InChIKeyGJLSRQTUHGEXHP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.21
Rot. Bonds6

About 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea

1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea (PubChem CID 111456098) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
PubChem CID111456098
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11-10-14(11)17-15(19)16-13(8-5-9-18)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,18H,5,8-10H2,1H3,(H2,16,17,19)
InChIKeyGJLSRQTUHGEXHP-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003330
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816
1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
CID 111453791
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide
CID 154743413
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
CID 111453794
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453817

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea (CID 111456098) is 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea is CC1CC1NC(=O)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea?
The InChIKey is GJLSRQTUHGEXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-10-14(11)17-15(19)16-13(8-5-9-18)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,18H,5,8-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea?
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea has a molecular weight of 262.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 111456098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).