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

C16H26N2O3 — CID 110910121

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCCC(O)(CC)CNC(=O)NCc1ccccc1COC
InChIInChI=1S/C16H26N2O3/c1-4-16(20,5-2)12-18-15(19)17-10-13-8-6-7-9-14(13)11-21-3/h6-9,20H,4-5,10-12H2,1-3H3,(H2,17,18,19)
InChIKeyRAIAHHOJIYGMNL-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.18
Rot. Bonds8

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

1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea (PubChem CID 110910121) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
PubChem CID110910121
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
SMILESCCC(O)(CC)CNC(=O)NCc1ccccc1COC
InChIInChI=1S/C16H26N2O3/c1-4-16(20,5-2)12-18-15(19)17-10-13-8-6-7-9-14(13)11-21-3/h6-9,20H,4-5,10-12H2,1-3H3,(H2,17,18,19)
InChIKeyRAIAHHOJIYGMNL-UHFFFAOYSA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-2-hydroxybutyl)-3-[(2-ethylphenyl)methyl]urea
CID 111455827
1-[(2R)-2-hydroxy-2-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 96548923
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454390
2-hydroxy-3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylpropanoic acid
CID 104644037
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942336
1-[[2-(methoxymethyl)phenyl]methyl]-3-(3-phenylsulfanylpropyl)urea
CID 33389163
N-[[2-(methoxymethyl)phenyl]methyl]but-2-enamide
CID 112725954
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea (CID 110910121) is 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea is CCC(O)(CC)CNC(=O)NCc1ccccc1COC.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is RAIAHHOJIYGMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-16(20,5-2)12-18-15(19)17-10-13-8-6-7-9-14(13)11-21-3/h6-9,20H,4-5,10-12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea?
1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110910121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).