1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea

C15H30N2O2 — CID 86927545

IUPAC1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCCCNC(=O)NC1CCC(C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)11-19-10-4-9-16-15(18)17-14-7-5-13(3)6-8-14/h12-14H,4-11H2,1-3H3,(H2,16,17,18)
InChIKeyGIHIQDSIPOIMMG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.93
Rot. Bonds7

About 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea

1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea (PubChem CID 86927545) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea
PubChem CID86927545
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCCCNC(=O)NC1CCC(C)CC1
InChIInChI=1S/C15H30N2O2/c1-12(2)11-19-10-4-9-16-15(18)17-14-7-5-13(3)6-8-14/h12-14H,4-11H2,1-3H3,(H2,16,17,18)
InChIKeyGIHIQDSIPOIMMG-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylpropoxy)ethyl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518459
1-cyclopropyl-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 75511893
1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
CID 106308098
1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 55767176
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
3-methyl-3-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 114098397
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
N-cyclopropyl-4-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]butanamide;hydroiodide
CID 111400764

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea?
The IUPAC name of 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea (CID 86927545) is 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea.
What is the SMILES notation for 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea?
The canonical SMILES for 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea is CC(C)COCCCNC(=O)NC1CCC(C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea?
The InChIKey is GIHIQDSIPOIMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)11-19-10-4-9-16-15(18)17-14-7-5-13(3)6-8-14/h12-14H,4-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea?
1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea has a molecular weight of 270.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea is sourced from PubChem (CID 86927545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).