N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide

C20H27NO — CID 43021008

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H27NO/c22-19(21-16-13-17-9-3-1-4-10-17)20(14-7-8-15-20)18-11-5-2-6-12-18/h2,5-6,9,11-12H,1,3-4,7-8,10,13-16H2,(H,21,22)
InChIKeyVINFTSJQWPROGS-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.51
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 43021008) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID43021008
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C20H27NO/c22-19(21-16-13-17-9-3-1-4-10-17)20(14-7-8-15-20)18-11-5-2-6-12-18/h2,5-6,9,11-12H,1,3-4,7-8,10,13-16H2,(H,21,22)
InChIKeyVINFTSJQWPROGS-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 33237082
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 30945125
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972578
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 115437246
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
CID 39630901

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide (CID 43021008) is N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide is O=C(NCCC1=CCCCC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is VINFTSJQWPROGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c22-19(21-16-13-17-9-3-1-4-10-17)20(14-7-8-15-20)18-11-5-2-6-12-18/h2,5-6,9,11-12H,1,3-4,7-8,10,13-16H2,(H,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 43021008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).