N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide

C18H25NO2 — CID 71810746

IUPACN-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide
SMILESCCC(CNC(=O)C1CC=CCC1)(OC)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-3-18(21-2,16-12-8-5-9-13-16)14-19-17(20)15-10-6-4-7-11-15/h4-6,8-9,12-13,15H,3,7,10-11,14H2,1-2H3,(H,19,20)
InChIKeyFOKMXBNUNVMAQQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.41
Rot. Bonds6

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

N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71810746) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide
PubChem CID71810746
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide
SMILESCCC(CNC(=O)C1CC=CCC1)(OC)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-3-18(21-2,16-12-8-5-9-13-16)14-19-17(20)15-10-6-4-7-11-15/h4-6,8-9,12-13,15H,3,7,10-11,14H2,1-2H3,(H,19,20)
InChIKeyFOKMXBNUNVMAQQ-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
Benzyl [(diphenylacetyl)amino]acetate
CID 1100660
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
2-Methyl-2-phenylmorpholine
CID 3066037
(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
N-Acetyl-N-desmethyldiphenhydramine
CID 86155091
3-Methoxy-3-phenyl-2-piperidinone
CID 137300
N-[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-acetamide
CID 21753665
2-Methyl-2-phenylmorpholine hydrochloride
CID 3066036

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide (CID 71810746) is N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide is CCC(CNC(=O)C1CC=CCC1)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FOKMXBNUNVMAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-18(21-2,16-12-8-5-9-13-16)14-19-17(20)15-10-6-4-7-11-15/h4-6,8-9,12-13,15H,3,7,10-11,14H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide?
N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71810746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).