1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea

C15H22N2O2 — CID 111509432

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
SMILESCCCC1CC1NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-6-12-9-13(12)16-15(19)17-14(10-18)11-7-4-3-5-8-11/h3-5,7-8,12-14,18H,2,6,9-10H2,1H3,(H2,16,17,19)
InChIKeyKRGGWXDCSUMMON-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.21
Rot. Bonds6

About 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea

1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea (PubChem CID 111509432) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
PubChem CID111509432
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
SMILESCCCC1CC1NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-6-12-9-13(12)16-15(19)17-14(10-18)11-7-4-3-5-8-11/h3-5,7-8,12-14,18H,2,6,9-10H2,1H3,(H2,16,17,19)
InChIKeyKRGGWXDCSUMMON-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

1-(3-ethylsulfanylcyclopentyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 110007137
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(1R,2R)-2-methylsulfanylcyclopentyl]urea
CID 124866784
1-(3-ethylsulfanylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111751211
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
CID 111505588
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide
CID 110022005

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea (CID 111509432) is 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea is CCCC1CC1NC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea?
The InChIKey is KRGGWXDCSUMMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-6-12-9-13(12)16-15(19)17-14(10-18)11-7-4-3-5-8-11/h3-5,7-8,12-14,18H,2,6,9-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)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-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea is sourced from PubChem (CID 111509432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).