2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide

C16H24N2O2 — CID 18114298

IUPAC2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H24N2O2/c1-11(2)15(17-13(4)19)16(20)18(5)10-14-8-6-12(3)7-9-14/h6-9,11,15H,10H2,1-5H3,(H,17,19)
InChIKeyLGPLNXMJABJDJQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds5

About 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide

2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 18114298) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
PubChem CID18114298
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCC(=O)NC(C(=O)N(C)Cc1ccc(C)cc1)C(C)C
InChIInChI=1S/C16H24N2O2/c1-11(2)15(17-13(4)19)16(20)18(5)10-14-8-6-12(3)7-9-14/h6-9,11,15H,10H2,1-5H3,(H,17,19)
InChIKeyLGPLNXMJABJDJQ-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-[(4-cyanophenyl)methyl]-N,3-dimethylbutanamide
CID 134054757
(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 30796588
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
2-bromo-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 43211718
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethylbutanamide
CID 78800990
2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
CID 18116972
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 78768765
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 31138547
2-acetamido-N-(2-hydroxypropyl)-N,3-dimethylbutanamide
CID 62334399
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186008

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide (CID 18114298) is 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide is CC(=O)NC(C(=O)N(C)Cc1ccc(C)cc1)C(C)C.
What is the InChIKey of 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is LGPLNXMJABJDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15(17-13(4)19)16(20)18(5)10-14-8-6-12(3)7-9-14/h6-9,11,15H,10H2,1-5H3,(H,17,19).
What are the key properties of 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide?
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 18114298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).