N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H21NO3 — CID 34713416

IUPACN-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(C)(C)CCNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO3/c1-15(2,3)6-7-16-14(17)11-4-5-12-13(10-11)19-9-8-18-12/h4-5,10H,6-9H2,1-3H3,(H,16,17)
InChIKeyQVWSRKBQLPKWFW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.62
Rot. Bonds3

About N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 34713416) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID34713416
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCC(C)(C)CCNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO3/c1-15(2,3)6-7-16-14(17)11-4-5-12-13(10-11)19-9-8-18-12/h4-5,10H,6-9H2,1-3H3,(H,16,17)
InChIKeyQVWSRKBQLPKWFW-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 65110138
N-(3-aminobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63254083
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
N-(5-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103899434
N-(4-iodobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 106846069
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 107843665
N-butyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51180619
N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46637989
N-(3-cyanopropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 62665672
N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 120651895
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylpentanoic acid
CID 43619133

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 34713416) is N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CC(C)(C)CCNC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is QVWSRKBQLPKWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)6-7-16-14(17)11-4-5-12-13(10-11)19-9-8-18-12/h4-5,10H,6-9H2,1-3H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 34713416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).