1-(2-hydroxypentyl)-3-(1-phenylethyl)urea

C14H22N2O2 — CID 111337741

IUPAC1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
SMILESCCCC(O)CNC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-7-13(17)10-15-14(18)16-11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13,17H,3,7,10H2,1-2H3,(H2,15,16,18)
InChIKeyWCOGIZFOTGHRFH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds6

About 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea

1-(2-hydroxypentyl)-3-(1-phenylethyl)urea (PubChem CID 111337741) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
PubChem CID111337741
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
SMILESCCCC(O)CNC(=O)NC(C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-7-13(17)10-15-14(18)16-11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13,17H,3,7,10H2,1-2H3,(H2,15,16,18)
InChIKeyWCOGIZFOTGHRFH-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111338426
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 111337736
1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
2-[[1-(3-chlorophenyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 65221198
1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111337923
1-(4-hydroxy-2-methylbutyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 111503985
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea (CID 111337741) is 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea is CCCC(O)CNC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea?
The InChIKey is WCOGIZFOTGHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-7-13(17)10-15-14(18)16-11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13,17H,3,7,10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxypentyl)-3-(1-phenylethyl)urea?
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea has a molecular weight of 250.34 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-hydroxypentyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 111337741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).