2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide

C16H24N2O3 — CID 60938179

IUPAC2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-4-11(2)15(17)16(19)18(3)10-12-5-6-13-14(9-12)21-8-7-20-13/h5-6,9,11,15H,4,7-8,10,17H2,1-3H3
InChIKeyKZTZWTWHUZVVIM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.79
Rot. Bonds5

About 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide

2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide (PubChem CID 60938179) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
PubChem CID60938179
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H24N2O3/c1-4-11(2)15(17)16(19)18(3)10-12-5-6-13-14(9-12)21-8-7-20-13/h5-6,9,11,15H,4,7-8,10,17H2,1-3H3
InChIKeyKZTZWTWHUZVVIM-UHFFFAOYSA-N
XLogP1.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 107568834
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
(2R)-2-amino-2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
CID 124739220
3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 81070909
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethyl-N-methylbutanamide
CID 79814212
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
(2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119690339

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide (CID 60938179) is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide is CCC(C)C(N)C(=O)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide?
The InChIKey is KZTZWTWHUZVVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-11(2)15(17)16(19)18(3)10-12-5-6-13-14(9-12)21-8-7-20-13/h5-6,9,11,15H,4,7-8,10,17H2,1-3H3.
What are the key properties of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide?
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide has a molecular weight of 292.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 60938179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).