2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate

C22H25N3O5-2 — CID 20840996

IUPAC2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate
SMILESCN(C)CCNC(=O)C(Nc1ccccc1)c1ccccc1.O=C([O-])/C=C\C(=O)[O-]
InChIInChI=1S/C18H23N3O.C4H4O4/c1-21(2)14-13-19-18(22)17(15-9-5-3-6-10-15)20-16-11-7-4-8-12-16;5-3(6)1-2-4(7)8/h3-12,17,20H,13-14H2,1-2H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-
InChIKeyQKROQEVBGMYROE-BTJKTKAUSA-L
MW411.46 g/mol
LogP-0.44
Rot. Bonds9

About 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate

2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate (PubChem CID 20840996) has the molecular formula C22H25N3O5-2 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate.

Molecular Properties

Compound Name2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate
PubChem CID20840996
Molecular FormulaC22H25N3O5-2
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate
SMILESCN(C)CCNC(=O)C(Nc1ccccc1)c1ccccc1.O=C([O-])/C=C\C(=O)[O-]
InChIInChI=1S/C18H23N3O.C4H4O4/c1-21(2)14-13-19-18(22)17(15-9-5-3-6-10-15)20-16-11-7-4-8-12-16;5-3(6)1-2-4(7)8/h3-12,17,20H,13-14H2,1-2H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-
InChIKeyQKROQEVBGMYROE-BTJKTKAUSA-L
XLogP-0.44
TPSA124.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate 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

(Z)-but-2-enedioic acid;2-(dimethylamino)ethyl 2-anilino-2-phenylacetate
CID 13004541
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
2-amino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 120994237
(2S)-2-anilino-2-phenylacetate
CID 6993805
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,2-diphenylacetamide
CID 113053537
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2,2-diphenylacetamide
CID 113053769
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146
3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
2-anilino-2-phenylacetamide;ethane
CID 142824395

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate?
The IUPAC name of 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate (CID 20840996) is 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate.
What is the SMILES notation for 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate?
The canonical SMILES for 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate is CN(C)CCNC(=O)C(Nc1ccccc1)c1ccccc1.O=C([O-])/C=C\C(=O)[O-].
What is the InChIKey of 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate?
The InChIKey is QKROQEVBGMYROE-BTJKTKAUSA-L. The full InChI is InChI=1S/C18H23N3O.C4H4O4/c1-21(2)14-13-19-18(22)17(15-9-5-3-6-10-15)20-16-11-7-4-8-12-16;5-3(6)1-2-4(7)8/h3-12,17,20H,13-14H2,1-2H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-.
What are the key properties of 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate?
2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate has a molecular weight of 411.46 g/mol, XLogP of -0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;(Z)-but-2-enedioate is sourced from PubChem (CID 20840996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).