2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide

C21H27N3O2 — CID 113176883

IUPAC2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)Nc2ccccc2C)C(C)=O)cc1
InChIInChI=1S/C21H27N3O2/c1-5-23(6-2)18-11-13-19(14-12-18)24(17(4)25)15-21(26)22-20-10-8-7-9-16(20)3/h7-14H,5-6,15H2,1-4H3,(H,22,26)
InChIKeyMHTINDJUDZZHKD-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.83
Rot. Bonds7

About 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide

2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide (PubChem CID 113176883) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
PubChem CID113176883
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
SMILESCCN(CC)c1ccc(N(CC(=O)Nc2ccccc2C)C(C)=O)cc1
InChIInChI=1S/C21H27N3O2/c1-5-23(6-2)18-11-13-19(14-12-18)24(17(4)25)15-21(26)22-20-10-8-7-9-16(20)3/h7-14H,5-6,15H2,1-4H3,(H,22,26)
InChIKeyMHTINDJUDZZHKD-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
2-(N-acetyl-4-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169295
2-(N-acetyl-4-propan-2-ylanilino)-N-(2-methylphenyl)acetamide
CID 113169828
2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113169389
2-(N-acetyl-2,6-dimethylanilino)-N-(2-methylphenyl)acetamide
CID 113168713
2-(N-acetyl-3-methylanilino)-N-(2-methylphenyl)acetamide
CID 113167544
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
CID 113176902
2-(N-acetyl-4-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113167752
2-(N-acetyl-4-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113167753
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
CID 113176939

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide (CID 113176883) is 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide is CCN(CC)c1ccc(N(CC(=O)Nc2ccccc2C)C(C)=O)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide?
The InChIKey is MHTINDJUDZZHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-23(6-2)18-11-13-19(14-12-18)24(17(4)25)15-21(26)22-20-10-8-7-9-16(20)3/h7-14H,5-6,15H2,1-4H3,(H,22,26).
What are the key properties of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide?
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 113176883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).