1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea

C15H24N2O3 — CID 111508541

IUPAC1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OC(C)CNC(=O)NCCC(C)O
InChIInChI=1S/C15H24N2O3/c1-11-6-4-5-7-14(11)20-13(3)10-17-15(19)16-9-8-12(2)18/h4-7,12-13,18H,8-10H2,1-3H3,(H2,16,17,19)
InChIKeyOGSNUROCDXRMCF-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.83
Rot. Bonds7

About 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea

1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea (PubChem CID 111508541) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
PubChem CID111508541
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OC(C)CNC(=O)NCCC(C)O
InChIInChI=1S/C15H24N2O3/c1-11-6-4-5-7-14(11)20-13(3)10-17-15(19)16-9-8-12(2)18/h4-7,12-13,18H,8-10H2,1-3H3,(H2,16,17,19)
InChIKeyOGSNUROCDXRMCF-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-[2-(2-methylphenoxy)propyl]urea
CID 111508543
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111482952
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
CID 122004183
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
CID 111508672
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
CID 71998406

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea (CID 111508541) is 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea is Cc1ccccc1OC(C)CNC(=O)NCCC(C)O.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea?
The InChIKey is OGSNUROCDXRMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-6-4-5-7-14(11)20-13(3)10-17-15(19)16-9-8-12(2)18/h4-7,12-13,18H,8-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea?
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 111508541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).