N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane

C14H29NO2 — CID 143532936

IUPACN-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane
SMILESCCC.CCN(C)C(=O)C1CCC(OC)CC1
InChIInChI=1S/C11H21NO2.C3H8/c1-4-12(2)11(13)9-5-7-10(14-3)8-6-9;1-3-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyVCQJIBCRUXQMQE-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.09
Rot. Bonds3

About N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane

N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane (PubChem CID 143532936) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane
PubChem CID143532936
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane
SMILESCCC.CCN(C)C(=O)C1CCC(OC)CC1
InChIInChI=1S/C11H21NO2.C3H8/c1-4-12(2)11(13)9-5-7-10(14-3)8-6-9;1-3-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyVCQJIBCRUXQMQE-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane?
The IUPAC name of N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane (CID 143532936) is N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane.
What is the SMILES notation for N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane?
The canonical SMILES for N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane is CCC.CCN(C)C(=O)C1CCC(OC)CC1.
What is the InChIKey of N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane?
The InChIKey is VCQJIBCRUXQMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C3H8/c1-4-12(2)11(13)9-5-7-10(14-3)8-6-9;1-3-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane?
N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane has a molecular weight of 243.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N-methylcyclohexane-1-carboxamide;propane is sourced from PubChem (CID 143532936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).