N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide

C20H25NO2 — CID 122691794

IUPACN-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCC1CC=C2CC(NC(=O)C3CCOc4ccccc43)C2C1
InChIInChI=1S/C20H25NO2/c1-2-13-7-8-14-12-18(17(14)11-13)21-20(22)16-9-10-23-19-6-4-3-5-15(16)19/h3-6,8,13,16-18H,2,7,9-12H2,1H3,(H,21,22)
InChIKeyOJHVQSFQWCSBOX-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.80
Rot. Bonds3

About N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 122691794) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID122691794
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC NameN-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCC1CC=C2CC(NC(=O)C3CCOc4ccccc43)C2C1
InChIInChI=1S/C20H25NO2/c1-2-13-7-8-14-12-18(17(14)11-13)21-20(22)16-9-10-23-19-6-4-3-5-15(16)19/h3-6,8,13,16-18H,2,7,9-12H2,1H3,(H,21,22)
InChIKeyOJHVQSFQWCSBOX-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270
N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708325
ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
CID 110648883
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 114631288
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 79246427
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
N-(2-methylpiperidin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106995393
N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709938
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 122691794) is N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide is CCC1CC=C2CC(NC(=O)C3CCOc4ccccc43)C2C1.
What is the InChIKey of N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is OJHVQSFQWCSBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-13-7-8-14-12-18(17(14)11-13)21-20(22)16-9-10-23-19-6-4-3-5-15(16)19/h3-6,8,13,16-18H,2,7,9-12H2,1H3,(H,21,22).
What are the key properties of N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 311.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-7-bicyclo[4.2.0]oct-1-enyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 122691794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).