N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C19H25NO2 — CID 45353889

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NCCC3=CCCCC3)cccc2C1C
InChIInChI=1S/C19H25NO2/c1-13-14(2)22-18-16(13)9-6-10-17(18)19(21)20-12-11-15-7-4-3-5-8-15/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,20,21)
InChIKeyFZTXUHCBGCCPQI-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.19
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 45353889) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID45353889
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Oc2c(C(=O)NCCC3=CCCCC3)cccc2C1C
InChIInChI=1S/C19H25NO2/c1-13-14(2)22-18-16(13)9-6-10-17(18)19(21)20-12-11-15-7-4-3-5-8-15/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,20,21)
InChIKeyFZTXUHCBGCCPQI-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.19
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

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
(2S)-4-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834347
2,3-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 24535734
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18143854
2,3-dimethyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18097619
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
CID 113330021
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 114751443
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110849125

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 45353889) is N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CC1Oc2c(C(=O)NCCC3=CCCCC3)cccc2C1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is FZTXUHCBGCCPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-14(2)22-18-16(13)9-6-10-17(18)19(21)20-12-11-15-7-4-3-5-8-15/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 45353889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).