1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea

C19H30N2O2 — CID 86029488

IUPAC1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea
SMILESCON(C)C(=O)Nc1cccc(CCCC2CCCCC2C)c1
InChIInChI=1S/C19H30N2O2/c1-15-8-4-5-11-17(15)12-6-9-16-10-7-13-18(14-16)20-19(22)21(2)23-3/h7,10,13-15,17H,4-6,8-9,11-12H2,1-3H3,(H,20,22)
InChIKeyVKDWXIGAOBQZOS-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.86
Rot. Bonds6

About 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea

1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea (PubChem CID 86029488) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea
PubChem CID86029488
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea
SMILESCON(C)C(=O)Nc1cccc(CCCC2CCCCC2C)c1
InChIInChI=1S/C19H30N2O2/c1-15-8-4-5-11-17(15)12-6-9-16-10-7-13-18(14-16)20-19(22)21(2)23-3/h7,10,13-15,17H,4-6,8-9,11-12H2,1-3H3,(H,20,22)
InChIKeyVKDWXIGAOBQZOS-UHFFFAOYSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea
CID 86029483
3-[3-[3-(3,4-dichlorophenyl)propyl]phenyl]-1-methoxy-1-methylurea
CID 54419076
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500
3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340620
3-[3-(2-chloroethoxy)phenyl]-1-methoxy-1-methylurea
CID 54473679
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 13424059
1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea
CID 12953602
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
1-methoxy-1-methyl-3-[4-(6-phenylhexoxy)phenyl]urea
CID 13424076
3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
CID 102633134
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea?
The IUPAC name of 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea (CID 86029488) is 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea?
The canonical SMILES for 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea is CON(C)C(=O)Nc1cccc(CCCC2CCCCC2C)c1.
What is the InChIKey of 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea?
The InChIKey is VKDWXIGAOBQZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-8-4-5-11-17(15)12-6-9-16-10-7-13-18(14-16)20-19(22)21(2)23-3/h7,10,13-15,17H,4-6,8-9,11-12H2,1-3H3,(H,20,22).
What are the key properties of 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea?
1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea has a molecular weight of 318.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-[3-[3-(2-methylcyclohexyl)propyl]phenyl]urea is sourced from PubChem (CID 86029488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).