3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea

C14H22N2O4 — CID 15675512

IUPAC3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea
SMILESCOc1ccc(CC(C)(C)NC(=O)N(C)O)cc1OC
InChIInChI=1S/C14H22N2O4/c1-14(2,15-13(17)16(3)18)9-10-6-7-11(19-4)12(8-10)20-5/h6-8,18H,9H2,1-5H3,(H,15,17)
InChIKeyXQUBWHIABVLZSU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.06
Rot. Bonds5

About 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea

3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea (PubChem CID 15675512) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea.

Molecular Properties

Compound Name3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea
PubChem CID15675512
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea
SMILESCOc1ccc(CC(C)(C)NC(=O)N(C)O)cc1OC
InChIInChI=1S/C14H22N2O4/c1-14(2,15-13(17)16(3)18)9-10-6-7-11(19-4)12(8-10)20-5/h6-8,18H,9H2,1-5H3,(H,15,17)
InChIKeyXQUBWHIABVLZSU-UHFFFAOYSA-N
XLogP2.06
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3,4-dimethoxyphenyl)propyl]-1-hydroxy-1-methylurea
CID 15675522
2-acetamido-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 4990870
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55123362
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
CID 49366734
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178823
ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
CID 18987060
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 3881142
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine
CID 66205349
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;hydrochloride
CID 154832939

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea?
The IUPAC name of 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea (CID 15675512) is 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea.
What is the SMILES notation for 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea?
The canonical SMILES for 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea is COc1ccc(CC(C)(C)NC(=O)N(C)O)cc1OC.
What is the InChIKey of 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea?
The InChIKey is XQUBWHIABVLZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,15-13(17)16(3)18)9-10-6-7-11(19-4)12(8-10)20-5/h6-8,18H,9H2,1-5H3,(H,15,17).
What are the key properties of 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea?
3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea has a molecular weight of 282.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1-hydroxy-1-methylurea is sourced from PubChem (CID 15675512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).