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

C19H23N3O3 — CID 113176766

IUPAC2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-14(23)22(17-9-7-16(8-10-17)21(2)3)13-19(24)20-15-5-11-18(25-4)12-6-15/h5-12H,13H2,1-4H3,(H,20,24)
InChIKeyBICGXZNYCNVCRO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.75
Rot. Bonds6

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

2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide (PubChem CID 113176766) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
PubChem CID113176766
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-14(23)22(17-9-7-16(8-10-17)21(2)3)13-19(24)20-15-5-11-18(25-4)12-6-15/h5-12H,13H2,1-4H3,(H,20,24)
InChIKeyBICGXZNYCNVCRO-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
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

N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-(N-acetyl-4-methoxyanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113173660
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
CID 113172443
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
2-(N-acetyl-2,6-dimethylanilino)-N-(4-methoxyphenyl)acetamide
CID 113168753
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(N-acetyl-4-methoxyanilino)-N-propan-2-ylacetamide
CID 113173486
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113181515

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide (CID 113176766) is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is BICGXZNYCNVCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(23)22(17-9-7-16(8-10-17)21(2)3)13-19(24)20-15-5-11-18(25-4)12-6-15/h5-12H,13H2,1-4H3,(H,20,24).
What are the key properties of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide?
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113176766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).