2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C21H29N3O3 — CID 109003192

IUPAC2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H29N3O3/c1-5-24(6-2)18-10-8-17(9-11-18)22-15-21(25)23-14-16-7-12-19(26-3)20(13-16)27-4/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25)
InChIKeyLILCVRNOARVMIA-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.28
Rot. Bonds10

About 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 109003192) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID109003192
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H29N3O3/c1-5-24(6-2)18-10-8-17(9-11-18)22-15-21(25)23-14-16-7-12-19(26-3)20(13-16)27-4/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25)
InChIKeyLILCVRNOARVMIA-UHFFFAOYSA-N
XLogP3.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109003193
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
CID 55565700
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003188
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 40684742
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544425
N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide
CID 8890668
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 55565313
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 109003192) is 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is CCN(CC)c1ccc(NCC(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is LILCVRNOARVMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-24(6-2)18-10-8-17(9-11-18)22-15-21(25)23-14-16-7-12-19(26-3)20(13-16)27-4/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25).
What are the key properties of 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 109003192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).