3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide

C21H24N2O2 — CID 69191528

IUPAC3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide
SMILESC=COc1c(C(=O)NC2(c3ccccn3)CC2)cccc1C(C)(C)C
InChIInChI=1S/C21H24N2O2/c1-5-25-18-15(9-8-10-16(18)20(2,3)4)19(24)23-21(12-13-21)17-11-6-7-14-22-17/h5-11,14H,1,12-13H2,2-4H3,(H,23,24)
InChIKeyMIPCITNHVYLEFO-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.32
Rot. Bonds5

About 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide

3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide (PubChem CID 69191528) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide
PubChem CID69191528
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide
SMILESC=COc1c(C(=O)NC2(c3ccccn3)CC2)cccc1C(C)(C)C
InChIInChI=1S/C21H24N2O2/c1-5-25-18-15(9-8-10-16(18)20(2,3)4)19(24)23-21(12-13-21)17-11-6-7-14-22-17/h5-11,14H,1,12-13H2,2-4H3,(H,23,24)
InChIKeyMIPCITNHVYLEFO-UHFFFAOYSA-N
XLogP4.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
CID 70811783
1-[3-tert-butyl-2-(3,3-dimethylbutoxy)phenyl]-2-(1-pyridin-2-ylcyclopropyl)ethanone
CID 146766580
3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
CID 67217666
2-amino-N-(1-pyridin-2-ylcyclopropyl)propanamide;dihydrochloride
CID 67391715
methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
CID 118666490
2-methyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]benzoic acid
CID 166275729
N-(1-pyridin-2-ylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292822
methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate
CID 155198395
methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate
CID 142662167
ethenyl 2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1,3-dihydroindene-2-carboxylate
CID 163867210
2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide
CID 114550285
(2-tert-butyl-6-ethenylphenyl) acetate
CID 10704049

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The IUPAC name of 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide (CID 69191528) is 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide.
What is the SMILES notation for 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The canonical SMILES for 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide is C=COc1c(C(=O)NC2(c3ccccn3)CC2)cccc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The InChIKey is MIPCITNHVYLEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-5-25-18-15(9-8-10-16(18)20(2,3)4)19(24)23-21(12-13-21)17-11-6-7-14-22-17/h5-11,14H,1,12-13H2,2-4H3,(H,23,24).
What are the key properties of 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide?
3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide is sourced from PubChem (CID 69191528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).