N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide

C19H22N2O2 — CID 52689391

IUPACN-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)c2cccc(C)c2C)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-5-10-18(14(13)2)21(4)12-19(23)20-17-9-6-8-16(11-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyZPRRVOHTDHMCPX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.58
Rot. Bonds5

About N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide

N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide (PubChem CID 52689391) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide
PubChem CID52689391
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)c2cccc(C)c2C)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-5-10-18(14(13)2)21(4)12-19(23)20-17-9-6-8-16(11-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyZPRRVOHTDHMCPX-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(N-acetyl-2,3-dimethylanilino)acetyl]amino]benzoate
CID 113168964
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113161495
N-(3-acetylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334507
N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960
N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147787
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666921
N-(3-acetylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9034829
(2R)-4-(3-acetylanilino)-2-(dimethylamino)-4-oxobutanoic acid
CID 2140649
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8553890

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide (CID 52689391) is N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide is CC(=O)c1cccc(NC(=O)CN(C)c2cccc(C)c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide?
The InChIKey is ZPRRVOHTDHMCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-7-5-10-18(14(13)2)21(4)12-19(23)20-17-9-6-8-16(11-17)15(3)22/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide?
N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(N,2,3-trimethylanilino)acetamide is sourced from PubChem (CID 52689391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).