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

C15H24N2O3 — CID 111338426

IUPAC1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
SMILESCCCC(O)CNC(=O)NC(COC)c1ccccc1
InChIInChI=1S/C15H24N2O3/c1-3-7-13(18)10-16-15(19)17-14(11-20-2)12-8-5-4-6-9-12/h4-6,8-9,13-14,18H,3,7,10-11H2,1-2H3,(H2,16,17,19)
InChIKeyJPJDNBRVYDXBLN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.83
Rot. Bonds8

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

1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea (PubChem CID 111338426) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
PubChem CID111338426
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
SMILESCCCC(O)CNC(=O)NC(COC)c1ccccc1
InChIInChI=1S/C15H24N2O3/c1-3-7-13(18)10-16-15(19)17-14(11-20-2)12-8-5-4-6-9-12/h4-6,8-9,13-14,18H,3,7,10-11H2,1-2H3,(H2,16,17,19)
InChIKeyJPJDNBRVYDXBLN-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111505801
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methoxy-1-phenylethyl)urea
CID 111618774
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea
CID 111455158
1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 111337736
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111566530
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111443990

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea (CID 111338426) is 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea is CCCC(O)CNC(=O)NC(COC)c1ccccc1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea?
The InChIKey is JPJDNBRVYDXBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-7-13(18)10-16-15(19)17-14(11-20-2)12-8-5-4-6-9-12/h4-6,8-9,13-14,18H,3,7,10-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea?
1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea has a molecular weight of 280.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea is sourced from PubChem (CID 111338426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).