N,N-diethyl-4-methoxycyclohexane-1-carboxamide

C12H23NO2 — CID 68575771

IUPACN,N-diethyl-4-methoxycyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCC(OC)CC1
InChIInChI=1S/C12H23NO2/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10/h10-11H,4-9H2,1-3H3
InChIKeyGVKRKEPNPFUSGE-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds4

About N,N-diethyl-4-methoxycyclohexane-1-carboxamide

N,N-diethyl-4-methoxycyclohexane-1-carboxamide (PubChem CID 68575771) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N,N-diethyl-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methoxycyclohexane-1-carboxamide
PubChem CID68575771
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN,N-diethyl-4-methoxycyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1CCC(OC)CC1
InChIInChI=1S/C12H23NO2/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10/h10-11H,4-9H2,1-3H3
InChIKeyGVKRKEPNPFUSGE-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-4-methoxycyclohexane-1-carboxamide (CID 68575771) is N,N-diethyl-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-methoxycyclohexane-1-carboxamide is CCN(CC)C(=O)C1CCC(OC)CC1.
What is the InChIKey of N,N-diethyl-4-methoxycyclohexane-1-carboxamide?
The InChIKey is GVKRKEPNPFUSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10/h10-11H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-4-methoxycyclohexane-1-carboxamide?
N,N-diethyl-4-methoxycyclohexane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 68575771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).