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

C14H22N2O3 — CID 111337159

IUPAC1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccccc1CNC(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-11(17)7-8-15-14(18)16-9-12-5-3-4-6-13(12)10-19-2/h3-6,11,17H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeyWGIQDSRSARKDCB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.40
Rot. Bonds7

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

1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea (PubChem CID 111337159) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
PubChem CID111337159
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccccc1CNC(=O)NCCC(C)O
InChIInChI=1S/C14H22N2O3/c1-11(17)7-8-15-14(18)16-9-12-5-3-4-6-13(12)10-19-2/h3-6,11,17H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeyWGIQDSRSARKDCB-UHFFFAOYSA-N
XLogP1.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454390
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506740
1-[(2-bromo-3-methylphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 119039519
1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea
CID 33389163
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110910121
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea (CID 111337159) is 1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea is COCc1ccccc1CNC(=O)NCCC(C)O.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is WGIQDSRSARKDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(17)7-8-15-14(18)16-9-12-5-3-4-6-13(12)10-19-2/h3-6,11,17H,7-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 266.34 g/mol, XLogP of 1.40, 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-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 111337159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).