3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate

C19H33NO2 — CID 141216630

IUPAC3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate
SMILESC=C1CCC(N(C(=O)OCCC(C)C)C2CCCCC2)CC1
InChIInChI=1S/C19H33NO2/c1-15(2)13-14-22-19(21)20(17-7-5-4-6-8-17)18-11-9-16(3)10-12-18/h15,17-18H,3-14H2,1-2H3
InChIKeyNNCBNOWJFJNMDG-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.30
Rot. Bonds5

About 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate

3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate (PubChem CID 141216630) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate.

Molecular Properties

Compound Name3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate
PubChem CID141216630
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate
SMILESC=C1CCC(N(C(=O)OCCC(C)C)C2CCCCC2)CC1
InChIInChI=1S/C19H33NO2/c1-15(2)13-14-22-19(21)20(17-7-5-4-6-8-17)18-11-9-16(3)10-12-18/h15,17-18H,3-14H2,1-2H3
InChIKeyNNCBNOWJFJNMDG-UHFFFAOYSA-N
XLogP5.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate?
The IUPAC name of 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate (CID 141216630) is 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate.
What is the SMILES notation for 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate?
The canonical SMILES for 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate is C=C1CCC(N(C(=O)OCCC(C)C)C2CCCCC2)CC1.
What is the InChIKey of 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate?
The InChIKey is NNCBNOWJFJNMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-15(2)13-14-22-19(21)20(17-7-5-4-6-8-17)18-11-9-16(3)10-12-18/h15,17-18H,3-14H2,1-2H3.
What are the key properties of 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate?
3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate has a molecular weight of 307.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-cyclohexyl-N-(4-methylidenecyclohexyl)carbamate is sourced from PubChem (CID 141216630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).