hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea

C12H19N2O2+ — CID 174379543

IUPAChydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
SMILESCOc1ccccc1N(CC(C)C)C(N)=O.[H+]
InChIInChI=1S/C12H18N2O2/c1-9(2)8-14(12(13)15)10-6-4-5-7-11(10)16-3/h4-7,9H,8H2,1-3H3,(H2,13,15)/p+1
InChIKeyVKZXCJZTMAPICH-UHFFFAOYSA-O
MW223.30 g/mol
LogP2.35
Rot. Bonds4

About hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea

hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea (PubChem CID 174379543) has the molecular formula C12H19N2O2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Namehydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
PubChem CID174379543
Molecular FormulaC12H19N2O2+
Molecular Weight223.30 g/mol
Exact Mass223.14
IUPAC Namehydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea
SMILESCOc1ccccc1N(CC(C)C)C(N)=O.[H+]
InChIInChI=1S/C12H18N2O2/c1-9(2)8-14(12(13)15)10-6-4-5-7-11(10)16-3/h4-7,9H,8H2,1-3H3,(H2,13,15)/p+1
InChIKeyVKZXCJZTMAPICH-UHFFFAOYSA-O
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylpropanamide
CID 28767707
2-methylpropyl N-(3-aminopropyl)-N-(2-methoxyphenyl)carbamate
CID 43318992
(2R)-2-amino-N-(2-methoxyphenyl)-N,4-dimethylpentanamide
CID 104903371
N-(3-aminopropyl)-N-(2-methoxyphenyl)-2-methylbutanamide
CID 43136196
1-(dimethylamino)-1-(2-methoxyphenyl)urea
CID 67588036
(2S)-3-(N-carbamoyl-2-hydroxyanilino)-2-methylpropanoic acid
CID 851678
N-(2-methoxyphenyl)acetohydrazide
CID 14966200
N-ethyl-N-(2-methoxyphenyl)carbamate
CID 57360584
2-(N-acetyl-2-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 113173108
1-[(2-methoxyphenyl)methyl]-1-(2-phenoxyphenyl)urea
CID 18407217
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
1-(3-aminopropyl)-3-ethyl-1-(2-methoxyphenyl)-3-methylurea
CID 79160382

Frequently Asked Questions

What is the IUPAC name of hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea?
The IUPAC name of hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea (CID 174379543) is hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea?
The canonical SMILES for hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea is COc1ccccc1N(CC(C)C)C(N)=O.[H+].
What is the InChIKey of hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea?
The InChIKey is VKZXCJZTMAPICH-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)8-14(12(13)15)10-6-4-5-7-11(10)16-3/h4-7,9H,8H2,1-3H3,(H2,13,15)/p+1.
What are the key properties of hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea?
hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea has a molecular weight of 223.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-(2-methoxyphenyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 174379543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).