1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea

C14H22N2O4 — CID 95980205

IUPAC1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea
SMILESCOCC[C@](C)(O)CNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H22N2O4/c1-14(18,7-8-19-2)10-15-13(17)16-11-5-4-6-12(9-11)20-3/h4-6,9,18H,7-8,10H2,1-3H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyGCYKWCFMXBMGKI-AWEZNQCLSA-N
MW282.34 g/mol
LogP1.60
Rot. Bonds7

About 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea

1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea (PubChem CID 95980205) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea
PubChem CID95980205
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea
SMILESCOCC[C@](C)(O)CNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C14H22N2O4/c1-14(18,7-8-19-2)10-15-13(17)16-11-5-4-6-12(9-11)20-3/h4-6,9,18H,7-8,10H2,1-3H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyGCYKWCFMXBMGKI-AWEZNQCLSA-N
XLogP1.60
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(3-methoxyphenyl)urea
CID 103839105
1-(3,3-dimethyl-2-oxobutyl)-3-(3-methoxyphenyl)urea
CID 60733422
1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea
CID 104625314
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-(3-methylphenyl)urea
CID 90501186
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
CID 103712783
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90501203
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea (CID 95980205) is 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea is COCC[C@](C)(O)CNC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea?
The InChIKey is GCYKWCFMXBMGKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(18,7-8-19-2)10-15-13(17)16-11-5-4-6-12(9-11)20-3/h4-6,9,18H,7-8,10H2,1-3H3,(H2,15,16,17)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea?
1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea has a molecular weight of 282.34 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 95980205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).