2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide

C16H24N2O2 — CID 113161359

IUPAC2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(Cc1ccccc1C)C(C)=O
InChIInChI=1S/C16H24N2O2/c1-5-13(3)17-16(20)11-18(14(4)19)10-15-9-7-6-8-12(15)2/h6-9,13H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyDISBFBRWDYJAMZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds6

About 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide (PubChem CID 113161359) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
PubChem CID113161359
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(Cc1ccccc1C)C(C)=O
InChIInChI=1S/C16H24N2O2/c1-5-13(3)17-16(20)11-18(14(4)19)10-15-9-7-6-8-12(15)2/h6-9,13H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyDISBFBRWDYJAMZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 113161382
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 113119070
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100532383
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 113161451
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113161360
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113161495
(2S)-2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-[(2S)-butan-2-yl]butanamide
CID 100666291
N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
CID 17201961
N-butan-2-yl-3-[[ethylamino-[methyl-[(2-methylphenyl)methyl]amino]methylidene]amino]propanamide;hydroiodide
CID 111286842

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide (CID 113161359) is 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(Cc1ccccc1C)C(C)=O.
What is the InChIKey of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide?
The InChIKey is DISBFBRWDYJAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-13(3)17-16(20)11-18(14(4)19)10-15-9-7-6-8-12(15)2/h6-9,13H,5,10-11H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide?
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide is sourced from PubChem (CID 113161359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).