2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide

C12H27N3O2 — CID 65247102

IUPAC2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)CCC(C)(C)CN
InChIInChI=1S/C12H27N3O2/c1-12(2,10-13)5-7-15(3)9-11(16)14-6-8-17-4/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyPXOOZCSIFDSJNW-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.06
Rot. Bonds9

About 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 65247102) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID65247102
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)CCC(C)(C)CN
InChIInChI=1S/C12H27N3O2/c1-12(2,10-13)5-7-15(3)9-11(16)14-6-8-17-4/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyPXOOZCSIFDSJNW-UHFFFAOYSA-N
XLogP0.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
CID 177054890
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
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 63760314
2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide
CID 62008377
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
2-[2-(2-aminophenyl)ethyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62495396
N-(2-methoxyethyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 54989176
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 65247102) is 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)CCC(C)(C)CN.
What is the InChIKey of 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is PXOOZCSIFDSJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-12(2,10-13)5-7-15(3)9-11(16)14-6-8-17-4/h5-10,13H2,1-4H3,(H,14,16).
What are the key properties of 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 245.37 g/mol, XLogP of 0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 65247102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).