1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea

C15H30N2O2 — CID 91447915

IUPAC1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
SMILESCOCCCNC(=O)NC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)13-7-6-12(3)10-14(13)17-15(18)16-8-5-9-19-4/h11-14H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyJKTTVNAYIBZWEP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.78
Rot. Bonds6

About 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea

1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea (PubChem CID 91447915) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
PubChem CID91447915
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
SMILESCOCCCNC(=O)NC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)13-7-6-12(3)10-14(13)17-15(18)16-8-5-9-19-4/h11-14H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyJKTTVNAYIBZWEP-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea?
The IUPAC name of 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea (CID 91447915) is 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea is COCCCNC(=O)NC1CC(C)CCC1C(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea?
The InChIKey is JKTTVNAYIBZWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)13-7-6-12(3)10-14(13)17-15(18)16-8-5-9-19-4/h11-14H,5-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea?
1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea has a molecular weight of 270.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea is sourced from PubChem (CID 91447915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).