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

C16H24N2O3 — CID 154766096

IUPAC2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide
SMILESCc1cc2c(cc1NC(=O)CN(C)CC(C)(C)C)OCO2
InChIInChI=1S/C16H24N2O3/c1-11-6-13-14(21-10-20-13)7-12(11)17-15(19)8-18(5)9-16(2,3)4/h6-7H,8-10H2,1-5H3,(H,17,19)
InChIKeyOELGFHAZZOEVLG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.64
Rot. Bonds4

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

2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide (PubChem CID 154766096) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide
PubChem CID154766096
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide
SMILESCc1cc2c(cc1NC(=O)CN(C)CC(C)(C)C)OCO2
InChIInChI=1S/C16H24N2O3/c1-11-6-13-14(21-10-20-13)7-12(11)17-15(19)8-18(5)9-16(2,3)4/h6-7H,8-10H2,1-5H3,(H,17,19)
InChIKeyOELGFHAZZOEVLG-UHFFFAOYSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115163959
2-(dimethylamino)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 75519038
3-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]amino]propanoic acid
CID 122089234
2-methyl-1-[(6-methyl-1,3-benzodioxol-5-yl)amino]propan-2-ol
CID 115136804
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
methyl 2,2-dimethyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanoate
CID 115233605
2-[(6-methyl-1,3-benzodioxol-5-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977573
2,2-dimethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110777998
N-(6-methyl-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 6955993
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanoic acid
CID 115219286
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115164154
ethyl 2-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanoate
CID 115128705

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide (CID 154766096) is 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide is Cc1cc2c(cc1NC(=O)CN(C)CC(C)(C)C)OCO2.
What is the InChIKey of 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is OELGFHAZZOEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-6-13-14(21-10-20-13)7-12(11)17-15(19)8-18(5)9-16(2,3)4/h6-7H,8-10H2,1-5H3,(H,17,19).
What are the key properties of 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide?
2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(methyl)amino]-N-(6-methyl-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 154766096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).