N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C22H23NO2 — CID 4916063

IUPACN-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1(C)C
InChIInChI=1S/C22H23NO2/c1-13(2)11-17-20(22(17,3)4)21(24)23-14-9-10-16-15-7-5-6-8-18(15)25-19(16)12-14/h5-12,17,20H,1-4H3,(H,23,24)
InChIKeyJWFQFWIVNAVQED-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.76
Rot. Bonds3

About N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 4916063) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID4916063
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1(C)C
InChIInChI=1S/C22H23NO2/c1-13(2)11-17-20(22(17,3)4)21(24)23-14-9-10-16-15-7-5-6-8-18(15)25-19(16)12-14/h5-12,17,20H,1-4H3,(H,23,24)
InChIKeyJWFQFWIVNAVQED-UHFFFAOYSA-N
XLogP5.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.76
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

trans-(1R,3S)-N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 7319376
N-(3-acetamidophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18150617
N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 17139231
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 47141132
N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014952
2,2-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24646892
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
(1S,6S)-6-(dibenzofuran-3-ylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1203748
2,2-dimethyl-N-(2-methylphenyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24534677
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 18151220
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 4916063) is N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1(C)C.
What is the InChIKey of N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is JWFQFWIVNAVQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-13(2)11-17-20(22(17,3)4)21(24)23-14-9-10-16-15-7-5-6-8-18(15)25-19(16)12-14/h5-12,17,20H,1-4H3,(H,23,24).
What are the key properties of N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 4916063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).