2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide

C14H20N2O3 — CID 115152763

IUPAC2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
SMILESCc1cc2c(cc1CCNC(=O)C(C)(C)N)OCO2
InChIInChI=1S/C14H20N2O3/c1-9-6-11-12(19-8-18-11)7-10(9)4-5-16-13(17)14(2,3)15/h6-7H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyDBRIYQDHJTYDPL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide

2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide (PubChem CID 115152763) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
PubChem CID115152763
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
SMILESCc1cc2c(cc1CCNC(=O)C(C)(C)N)OCO2
InChIInChI=1S/C14H20N2O3/c1-9-6-11-12(19-8-18-11)7-10(9)4-5-16-13(17)14(2,3)15/h6-7H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyDBRIYQDHJTYDPL-UHFFFAOYSA-N
XLogP1.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]acetamide
CID 115191234
methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 115190728
2-amino-3-hydroxy-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115180111
3-methyl-3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylamino]butan-1-ol
CID 115134282
1-cyano-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172520
3-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
CID 110789828
2-(4-fluorophenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789847
2-[methyl-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]amino]acetamide
CID 115260297
3,3-dimethyl-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116925179
methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]carbamic acid
CID 115171057
2-methyl-4-(6-methyl-1,3-benzodioxol-5-yl)butanoic acid
CID 116926956
3-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propanoic acid
CID 112519656

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide (CID 115152763) is 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide is Cc1cc2c(cc1CCNC(=O)C(C)(C)N)OCO2.
What is the InChIKey of 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide?
The InChIKey is DBRIYQDHJTYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-11-12(19-8-18-11)7-10(9)4-5-16-13(17)14(2,3)15/h6-7H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide?
2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115152763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).