2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide

C13H20N2O — CID 82127686

IUPAC2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
SMILESCc1ccc(C)c(CCN(C)C(=O)CN)c1
InChIInChI=1S/C13H20N2O/c1-10-4-5-11(2)12(8-10)6-7-15(3)13(16)9-14/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyYEIZKVCCHBOAQV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide

2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide (PubChem CID 82127686) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
PubChem CID82127686
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
SMILESCc1ccc(C)c(CCN(C)C(=O)CN)c1
InChIInChI=1S/C13H20N2O/c1-10-4-5-11(2)12(8-10)6-7-15(3)13(16)9-14/h4-5,8H,6-7,9,14H2,1-3H3
InChIKeyYEIZKVCCHBOAQV-UHFFFAOYSA-N
XLogP1.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethylphenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168067
1-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190000
3-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161715
N-[2-(2,4-dimethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176598
N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 107206649
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132235
2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128131
2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide
CID 115151796
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide (CID 82127686) is 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide is Cc1ccc(C)c(CCN(C)C(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide?
The InChIKey is YEIZKVCCHBOAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-5-11(2)12(8-10)6-7-15(3)13(16)9-14/h4-5,8H,6-7,9,14H2,1-3H3.
What are the key properties of 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide?
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide has a molecular weight of 220.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 82127686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).