N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide

C13H17NO3 — CID 110752658

IUPACN-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H17NO3/c1-13(2,3)12(15)14(4)9-5-6-10-11(7-9)17-8-16-10/h5-7H,8H2,1-4H3
InChIKeyLZENSJFOOBLWQV-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.42
Rot. Bonds1

About N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide

N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide (PubChem CID 110752658) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
PubChem CID110752658
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H17NO3/c1-13(2,3)12(15)14(4)9-5-6-10-11(7-9)17-8-16-10/h5-7H,8H2,1-4H3
InChIKeyLZENSJFOOBLWQV-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
3-[1,3-benzodioxol-5-yl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164184
N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
CID 115157761
N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 110752701
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
4-[1,3-benzodioxol-5-yl(methyl)amino]-3-methyl-4-oxobutanoic acid
CID 115164520
2-amino-4-[1,3-benzodioxol-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181007
N-(1,3-benzodioxol-5-yl)-N-methylpyrazine-2-carboxamide
CID 110752252
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601
N-(1,3-benzodioxol-5-yl)-N-methylformamide
CID 10261671

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide (CID 110752658) is N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide?
The InChIKey is LZENSJFOOBLWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)12(15)14(4)9-5-6-10-11(7-9)17-8-16-10/h5-7H,8H2,1-4H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide?
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide has a molecular weight of 235.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 110752658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).