3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea

C17H26N2O3 — CID 23275933

IUPAC3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-19(21-2)17(20)18-15-8-10-16(11-9-15)22-13-12-14-6-4-3-5-7-14/h8-11,14H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyMQEQQYJKPVDPFS-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.06
Rot. Bonds6

About 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea

3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea (PubChem CID 23275933) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea
PubChem CID23275933
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-19(21-2)17(20)18-15-8-10-16(11-9-15)22-13-12-14-6-4-3-5-7-14/h8-11,14H,3-7,12-13H2,1-2H3,(H,18,20)
InChIKeyMQEQQYJKPVDPFS-UHFFFAOYSA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644
4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638
N-[4-(2-cyclohexylethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 26163422
N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
CID 17137747
N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
CID 17177481
methyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178646
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
2-(4-chlorophenyl)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
CID 17137705
3-[3-(3-cyclohexylpropyl)phenyl]-1-methoxy-1-methylurea
CID 86029483
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
CID 17137889
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12953558
(E)-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 17137826

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea?
The IUPAC name of 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea (CID 23275933) is 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea.
What is the SMILES notation for 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea?
The canonical SMILES for 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea is CON(C)C(=O)Nc1ccc(OCCC2CCCCC2)cc1.
What is the InChIKey of 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea?
The InChIKey is MQEQQYJKPVDPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-19(21-2)17(20)18-15-8-10-16(11-9-15)22-13-12-14-6-4-3-5-7-14/h8-11,14H,3-7,12-13H2,1-2H3,(H,18,20).
What are the key properties of 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea?
3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea has a molecular weight of 306.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclohexylethoxy)phenyl]-1-methoxy-1-methylurea is sourced from PubChem (CID 23275933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).