2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide

C19H27NO4 — CID 75434006

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccc2c(c1)OCCO2)C(CO)C(C)(C)C
InChIInChI=1S/C19H27NO4/c1-19(2,3)17(11-21)20(4)18(22)14-10-13(14)12-5-6-15-16(9-12)24-8-7-23-15/h5-6,9,13-14,17,21H,7-8,10-11H2,1-4H3
InChIKeyBKLWTQMYOSKCED-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.43
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide (PubChem CID 75434006) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide
PubChem CID75434006
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccc2c(c1)OCCO2)C(CO)C(C)(C)C
InChIInChI=1S/C19H27NO4/c1-19(2,3)17(11-21)20(4)18(22)14-10-13(14)12-5-6-15-16(9-12)24-8-7-23-15/h5-6,9,13-14,17,21H,7-8,10-11H2,1-4H3
InChIKeyBKLWTQMYOSKCED-UHFFFAOYSA-N
XLogP2.43
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119656504
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]cyclopropane-1-carboxamide
CID 136560222
(4R)-N-tert-butyl-3-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide
CID 124857404
(2R)-1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125134182
(2S)-1-[(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125119978
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 102554718
N-(2-amino-5-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119421668
trans-[3-(dimethylamino)phenyl]methyl (1S,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylate
CID 99811398
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 119520451
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide (CID 75434006) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1CC1c1ccc2c(c1)OCCO2)C(CO)C(C)(C)C.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is BKLWTQMYOSKCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-19(2,3)17(11-21)20(4)18(22)14-10-13(14)12-5-6-15-16(9-12)24-8-7-23-15/h5-6,9,13-14,17,21H,7-8,10-11H2,1-4H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 75434006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).