N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide

C20H24N4O3 — CID 113176781

IUPACN-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H24N4O3/c1-14(25)21-16-5-7-17(8-6-16)22-20(27)13-24(15(2)26)19-11-9-18(10-12-19)23(3)4/h5-12H,13H2,1-4H3,(H,21,25)(H,22,27)
InChIKeyAZLFADBZAVGLTH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.70
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide

N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide (PubChem CID 113176781) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
PubChem CID113176781
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H24N4O3/c1-14(25)21-16-5-7-17(8-6-16)22-20(27)13-24(15(2)26)19-11-9-18(10-12-19)23(3)4/h5-12H,13H2,1-4H3,(H,21,25)(H,22,27)
InChIKeyAZLFADBZAVGLTH-UHFFFAOYSA-N
XLogP2.70
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113176021
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113181515
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide (CID 113176781) is N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide?
The InChIKey is AZLFADBZAVGLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(25)21-16-5-7-17(8-6-16)22-20(27)13-24(15(2)26)19-11-9-18(10-12-19)23(3)4/h5-12H,13H2,1-4H3,(H,21,25)(H,22,27).
What are the key properties of N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide?
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide is sourced from PubChem (CID 113176781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).