2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane

C14H32N2O2 — CID 177054890

IUPAC2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
SMILESCC.COCCNC(=O)CN(C)CCC(C)(C)C
InChIInChI=1S/C12H26N2O2.C2H6/c1-12(2,3)6-8-14(4)10-11(15)13-7-9-16-5;1-2/h6-10H2,1-5H3,(H,13,15);1-2H3
InChIKeyFGLZJAOPGWZGQG-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.14
Rot. Bonds7

About 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane

2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane (PubChem CID 177054890) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane.

Molecular Properties

Compound Name2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
PubChem CID177054890
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
SMILESCC.COCCNC(=O)CN(C)CCC(C)(C)C
InChIInChI=1S/C12H26N2O2.C2H6/c1-12(2,3)6-8-14(4)10-11(15)13-7-9-16-5;1-2/h6-10H2,1-5H3,(H,13,15);1-2H3
InChIKeyFGLZJAOPGWZGQG-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 65247102
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 78954285
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid
CID 79619625
N-(2-methoxyethyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60691530
2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 113219210
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
N-(2-methoxyethyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 54989176
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 63760314
N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 87013061
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide;ethane
CID 166075570
2-[2-(2-aminophenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62495396

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane?
The IUPAC name of 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane (CID 177054890) is 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane.
What is the SMILES notation for 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane?
The canonical SMILES for 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane is CC.COCCNC(=O)CN(C)CCC(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane?
The InChIKey is FGLZJAOPGWZGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.C2H6/c1-12(2,3)6-8-14(4)10-11(15)13-7-9-16-5;1-2/h6-10H2,1-5H3,(H,13,15);1-2H3.
What are the key properties of 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane?
2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane has a molecular weight of 260.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane is sourced from PubChem (CID 177054890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).