1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea

C15H24N2O3 — CID 111338040

IUPAC1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
SMILESCCCC(O)CNC(=O)NCc1cccc(COC)c1
InChIInChI=1S/C15H24N2O3/c1-3-5-14(18)10-17-15(19)16-9-12-6-4-7-13(8-12)11-20-2/h4,6-8,14,18H,3,5,9-11H2,1-2H3,(H2,16,17,19)
InChIKeySZJXPRSVAYXJKL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.79
Rot. Bonds8

About 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea

1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea (PubChem CID 111338040) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
PubChem CID111338040
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
SMILESCCCC(O)CNC(=O)NCc1cccc(COC)c1
InChIInChI=1S/C15H24N2O3/c1-3-5-14(18)10-17-15(19)16-9-12-6-4-7-13(8-12)11-20-2/h4,6-8,14,18H,3,5,9-11H2,1-2H3,(H2,16,17,19)
InChIKeySZJXPRSVAYXJKL-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,3-dimethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338038
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 110893422
1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426617
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 82012253
N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-4-carboxamide
CID 63122588
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 55749404
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea (CID 111338040) is 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea is CCCC(O)CNC(=O)NCc1cccc(COC)c1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is SZJXPRSVAYXJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-14(18)10-17-15(19)16-9-12-6-4-7-13(8-12)11-20-2/h4,6-8,14,18H,3,5,9-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea?
1-(2-hydroxypentyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.79, 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-[[3-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 111338040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).