2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide

C14H19NO3 — CID 113197678

IUPAC2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-4-7-15-13(16)14(2,3)10-5-6-11-12(8-10)18-9-17-11/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyQDWNXAMFVYXXNA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.22
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide (PubChem CID 113197678) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide
PubChem CID113197678
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-4-7-15-13(16)14(2,3)10-5-6-11-12(8-10)18-9-17-11/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyQDWNXAMFVYXXNA-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197724
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 113197712
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113197929
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52795053
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113197917
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
2-(1,3-benzodioxol-5-yl)-N-(6-chloro-5-methyl-2-pyridinyl)-2-methylpropanamide
CID 118384034
2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-2-methylpropanamide
CID 113197795
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide (CID 113197678) is 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide is CCCNC(=O)C(C)(C)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide?
The InChIKey is QDWNXAMFVYXXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-7-15-13(16)14(2,3)10-5-6-11-12(8-10)18-9-17-11/h5-6,8H,4,7,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide?
2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide is sourced from PubChem (CID 113197678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).