N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide

C16H26N2O — CID 115151986

IUPACN-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-12-9-14(16(2,3)4)8-7-13(12)11-18(6)15(19)10-17-5/h7-9,17H,10-11H2,1-6H3
InChIKeyAGVVEQSKMZAOER-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.47
Rot. Bonds4

About N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide

N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 115151986) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
PubChem CID115151986
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-12-9-14(16(2,3)4)8-7-13(12)11-18(6)15(19)10-17-5/h7-9,17H,10-11H2,1-6H3
InChIKeyAGVVEQSKMZAOER-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-tert-butyl-2-methylphenyl)methyl]-N'-methyloxamide
CID 115192000
N-[(4-tert-butyl-2-methylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172381
N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139147
N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151954
(5-tert-butyl-2-methylphenyl)methyl-methylcarbamothioic S-acid
CID 115170095
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151967
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 9227980
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78914540
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151969

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide (CID 115151986) is N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is AGVVEQSKMZAOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-14(16(2,3)4)8-7-13(12)11-18(6)15(19)10-17-5/h7-9,17H,10-11H2,1-6H3.
What are the key properties of N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide?
N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 115151986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).