3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide

C15H24N2O — CID 120500978

IUPAC3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide
SMILESCc1cccc(C)c1CCNC(=O)C(C)C(C)N
InChIInChI=1S/C15H24N2O/c1-10-6-5-7-11(2)14(10)8-9-17-15(18)12(3)13(4)16/h5-7,12-13H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyJCJRECLELBRKIM-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.95
Rot. Bonds5

About 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide

3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide (PubChem CID 120500978) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide
PubChem CID120500978
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide
SMILESCc1cccc(C)c1CCNC(=O)C(C)C(C)N
InChIInChI=1S/C15H24N2O/c1-10-6-5-7-11(2)14(10)8-9-17-15(18)12(3)13(4)16/h5-7,12-13H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyJCJRECLELBRKIM-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038
4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
CID 120562805
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide
CID 119326216
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
CID 114332302
3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 120500571
(2S)-2-amino-3-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 94693681
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide (CID 120500978) is 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide is Cc1cccc(C)c1CCNC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide?
The InChIKey is JCJRECLELBRKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-6-5-7-11(2)14(10)8-9-17-15(18)12(3)13(4)16/h5-7,12-13H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide?
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 120500978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).