2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide

C17H33NO2 — CID 155129940

IUPAC2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CCCCC1CC(C)(C)COC
InChIInChI=1S/C17H33NO2/c1-6-11-18(4)16(19)15-10-8-7-9-14(15)12-17(2,3)13-20-5/h14-15H,6-13H2,1-5H3
InChIKeyDBORMOLVQIFRDP-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.72
Rot. Bonds7

About 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide

2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide (PubChem CID 155129940) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide
PubChem CID155129940
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide
SMILESCCCN(C)C(=O)C1CCCCC1CC(C)(C)COC
InChIInChI=1S/C17H33NO2/c1-6-11-18(4)16(19)15-10-8-7-9-14(15)12-17(2,3)13-20-5/h14-15H,6-13H2,1-5H3
InChIKeyDBORMOLVQIFRDP-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide (CID 155129940) is 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide is CCCN(C)C(=O)C1CCCCC1CC(C)(C)COC.
What is the InChIKey of 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide?
The InChIKey is DBORMOLVQIFRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-11-18(4)16(19)15-10-8-7-9-14(15)12-17(2,3)13-20-5/h14-15H,6-13H2,1-5H3.
What are the key properties of 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide?
2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,2-dimethylpropyl)-N-methyl-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 155129940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).