N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide

C22H27NO — CID 140983187

IUPACN-cycloheptyl-5-naphthalen-2-ylpent-2-enamide
SMILESO=C(C=CCCc1ccc2ccccc2c1)NC1CCCCCC1
InChIInChI=1S/C22H27NO/c24-22(23-21-12-3-1-2-4-13-21)14-8-5-9-18-15-16-19-10-6-7-11-20(19)17-18/h6-8,10-11,14-17,21H,1-5,9,12-13H2,(H,23,24)
InChIKeyZEDYYXLEABFECT-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.17
Rot. Bonds5

About N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide

N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide (PubChem CID 140983187) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide.

Molecular Properties

Compound NameN-cycloheptyl-5-naphthalen-2-ylpent-2-enamide
PubChem CID140983187
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC NameN-cycloheptyl-5-naphthalen-2-ylpent-2-enamide
SMILESO=C(C=CCCc1ccc2ccccc2c1)NC1CCCCCC1
InChIInChI=1S/C22H27NO/c24-22(23-21-12-3-1-2-4-13-21)14-8-5-9-18-15-16-19-10-6-7-11-20(19)17-18/h6-8,10-11,14-17,21H,1-5,9,12-13H2,(H,23,24)
InChIKeyZEDYYXLEABFECT-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-hydroxy-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 3602543
1-cyclooctyl-2-naphthalen-2-ylethanone
CID 65018574
1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 110990646
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide
CID 142442818
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
CID 134122178
CID 134122178
(E)-4-bromo-N-cyclopentylbut-2-enamide
CID 153266331

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide?
The IUPAC name of N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide (CID 140983187) is N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide.
What is the SMILES notation for N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide?
The canonical SMILES for N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide is O=C(C=CCCc1ccc2ccccc2c1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide?
The InChIKey is ZEDYYXLEABFECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-22(23-21-12-3-1-2-4-13-21)14-8-5-9-18-15-16-19-10-6-7-11-20(19)17-18/h6-8,10-11,14-17,21H,1-5,9,12-13H2,(H,23,24).
What are the key properties of N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide?
N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide has a molecular weight of 321.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-naphthalen-2-ylpent-2-enamide is sourced from PubChem (CID 140983187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).