1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea

C15H24N2O3 — CID 103709895

IUPAC1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
SMILESCCCC(CCO)CNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H24N2O3/c1-3-5-12(8-9-18)11-16-15(19)17-13-6-4-7-14(10-13)20-2/h4,6-7,10,12,18H,3,5,8-9,11H2,1-2H3,(H2,16,17,19)
InChIKeyPDTCBZMDEUETDF-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.62
Rot. Bonds8

About 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea

1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea (PubChem CID 103709895) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
PubChem CID103709895
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
SMILESCCCC(CCO)CNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H24N2O3/c1-3-5-12(8-9-18)11-16-15(19)17-13-6-4-7-14(10-13)20-2/h4,6-7,10,12,18H,3,5,8-9,11H2,1-2H3,(H2,16,17,19)
InChIKeyPDTCBZMDEUETDF-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(3-prop-2-ynoxyphenyl)urea
CID 111521167
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474632
1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
CID 113498087
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453141

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea (CID 103709895) is 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea is CCCC(CCO)CNC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea?
The InChIKey is PDTCBZMDEUETDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-12(8-9-18)11-16-15(19)17-13-6-4-7-14(10-13)20-2/h4,6-7,10,12,18H,3,5,8-9,11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea?
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 103709895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).