N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide

C13H23NO2 — CID 56748456

IUPACN-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
SMILESCOCC(C)(C)CNC(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-13(2,10-16-3)9-14-12(15)11-7-5-4-6-8-11/h4-5,11H,6-10H2,1-3H3,(H,14,15)
InChIKeyZZUJORDCIVWZGP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.13
Rot. Bonds5

About N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide

N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 56748456) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
PubChem CID56748456
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
SMILESCOCC(C)(C)CNC(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-13(2,10-16-3)9-14-12(15)11-7-5-4-6-8-11/h4-5,11H,6-10H2,1-3H3,(H,14,15)
InChIKeyZZUJORDCIVWZGP-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
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 N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide (CID 56748456) is N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide is COCC(C)(C)CNC(=O)C1CC=CCC1.
What is the InChIKey of N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ZZUJORDCIVWZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,10-16-3)9-14-12(15)11-7-5-4-6-8-11/h4-5,11H,6-10H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide?
N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 56748456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).