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

C21H27N3O3 — CID 113062185

IUPACN-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-16(25)24(19-9-7-18(8-10-19)23(2)3)14-13-22-21(26)15-17-5-11-20(27-4)12-6-17/h5-12H,13-15H2,1-4H3,(H,22,26)
InChIKeyKPDZLNJDDZSLFA-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.47
Rot. Bonds8

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

N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113062185) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113062185
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-16(25)24(19-9-7-18(8-10-19)23(2)3)14-13-22-21(26)15-17-5-11-20(27-4)12-6-17/h5-12H,13-15H2,1-4H3,(H,22,26)
InChIKeyKPDZLNJDDZSLFA-UHFFFAOYSA-N
XLogP2.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572
methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061971
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052674

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide (CID 113062185) is N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(C(C)=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is KPDZLNJDDZSLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16(25)24(19-9-7-18(8-10-19)23(2)3)14-13-22-21(26)15-17-5-11-20(27-4)12-6-17/h5-12H,13-15H2,1-4H3,(H,22,26).
What are the key properties of N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113062185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).