3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide

C16H24N2O3 — CID 81070909

IUPAC3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-3-12(10-17)9-16(19)18(2)11-13-4-5-14-15(8-13)21-7-6-20-14/h4-5,8,12H,3,6-7,9-11,17H2,1-2H3
InChIKeyJKFRBQFUGQSOHL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.79
Rot. Bonds6

About 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide

3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide (PubChem CID 81070909) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
PubChem CID81070909
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-3-12(10-17)9-16(19)18(2)11-13-4-5-14-15(8-13)21-7-6-20-14/h4-5,8,12H,3,6-7,9-11,17H2,1-2H3
InChIKeyJKFRBQFUGQSOHL-UHFFFAOYSA-N
XLogP1.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethyl-N-methylbutanamide
CID 79814212
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
CID 60938179
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 107568834
2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117039970
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-methyl-2-sulfanylacetamide
CID 115167257
(3R)-3-(carbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 51935662
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139146
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 34764151
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide (CID 81070909) is 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide is CCC(CN)CC(=O)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide?
The InChIKey is JKFRBQFUGQSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-12(10-17)9-16(19)18(2)11-13-4-5-14-15(8-13)21-7-6-20-14/h4-5,8,12H,3,6-7,9-11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide?
3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide has a molecular weight of 292.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide is sourced from PubChem (CID 81070909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).