(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide

C23H31N3O — CID 39962305

IUPAC(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C23H31N3O/c1-6-18-7-12-20(13-8-18)22(26(4)5)17-24-23(27)16-11-19-9-14-21(15-10-19)25(2)3/h7-16,22H,6,17H2,1-5H3,(H,24,27)/b16-11+/t22-/m1/s1
InChIKeyHZPCFSYKPJFTLN-UPMCQBDUSA-N
MW365.52 g/mol
LogP3.75
Rot. Bonds8

About (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide

(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide (PubChem CID 39962305) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
PubChem CID39962305
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C23H31N3O/c1-6-18-7-12-20(13-8-18)22(26(4)5)17-24-23(27)16-11-19-9-14-21(15-10-19)25(2)3/h7-16,22H,6,17H2,1-5H3,(H,24,27)/b16-11+/t22-/m1/s1
InChIKeyHZPCFSYKPJFTLN-UPMCQBDUSA-N
XLogP3.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide 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

(E)-3-(4-acetamidophenyl)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]prop-2-enamide
CID 39961809
2-[[3-[4-(dimethylamino)phenyl]prop-2-enoylamino]methyl]butanoic acid
CID 77061287
(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 39961753
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
CID 73010677
3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055669
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propanamide
CID 7496001
3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
CID 106166029
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82010200
3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 77112880
3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
CID 77024262
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide (CID 39962305) is (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide is CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(N(C)C)cc2)N(C)C)cc1.
What is the InChIKey of (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The InChIKey is HZPCFSYKPJFTLN-UPMCQBDUSA-N. The full InChI is InChI=1S/C23H31N3O/c1-6-18-7-12-20(13-8-18)22(26(4)5)17-24-23(27)16-11-19-9-14-21(15-10-19)25(2)3/h7-16,22H,6,17H2,1-5H3,(H,24,27)/b16-11+/t22-/m1/s1.
What are the key properties of (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide has a molecular weight of 365.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 39962305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).