N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide

C20H27NO2 — CID 71796620

IUPACN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3CC=CCC3)CCCC2)cc1
InChIInChI=1S/C20H27NO2/c1-23-18-11-9-17(10-12-18)20(13-5-6-14-20)15-21-19(22)16-7-3-2-4-8-16/h2-3,9-12,16H,4-8,13-15H2,1H3,(H,21,22)
InChIKeyQYWZPEWVGZKVSJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.98
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71796620) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71796620
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3CC=CCC3)CCCC2)cc1
InChIInChI=1S/C20H27NO2/c1-23-18-11-9-17(10-12-18)20(13-5-6-14-20)15-21-19(22)16-7-3-2-4-8-16/h2-3,9-12,16H,4-8,13-15H2,1H3,(H,21,22)
InChIKeyQYWZPEWVGZKVSJ-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.98
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-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 135113473
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
(1S)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94614538
(3R)-1-ethyl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97123369
1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
(2S,5R)-5-(aminomethyl)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120789842
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 127832089
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94484941

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide (CID 71796620) is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide is COc1ccc(C2(CNC(=O)C3CC=CCC3)CCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QYWZPEWVGZKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-23-18-11-9-17(10-12-18)20(13-5-6-14-20)15-21-19(22)16-7-3-2-4-8-16/h2-3,9-12,16H,4-8,13-15H2,1H3,(H,21,22).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).