2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide

C16H27N3O — CID 106312263

IUPAC2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC(C(C)C)N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-11(2)14(19(4)5)10-18-16(20)15(17)13-8-6-12(3)7-9-13/h6-9,11,14-15H,10,17H2,1-5H3,(H,18,20)
InChIKeyNCBFVMAILRJWFU-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.70
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide

2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide (PubChem CID 106312263) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide
PubChem CID106312263
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC(C(C)C)N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-11(2)14(19(4)5)10-18-16(20)15(17)13-8-6-12(3)7-9-13/h6-9,11,14-15H,10,17H2,1-5H3,(H,18,20)
InChIKeyNCBFVMAILRJWFU-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114172133
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670120
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669291
2-amino-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669334
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide (CID 106312263) is 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCC(C(C)C)N(C)C)cc1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide?
The InChIKey is NCBFVMAILRJWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)14(19(4)5)10-18-16(20)15(17)13-8-6-12(3)7-9-13/h6-9,11,14-15H,10,17H2,1-5H3,(H,18,20).
What are the key properties of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106312263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).