(E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide

C24H30ClN3O — CID 144880881

IUPAC(E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide
SMILESCC/C=C(\CNC(=O)/C(=C/CC)c1ccccc1NC)c1cc(Cl)ccc1NC
InChIInChI=1S/C24H30ClN3O/c1-5-9-17(21-15-18(25)13-14-23(21)27-4)16-28-24(29)20(10-6-2)19-11-7-8-12-22(19)26-3/h7-15,26-27H,5-6,16H2,1-4H3,(H,28,29)/b17-9+,20-10+
InChIKeyPDCOOWIOFDCLPF-NOPJRILXSA-N
MW411.98 g/mol
LogP5.83
Rot. Bonds9

About (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide

(E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide (PubChem CID 144880881) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide
PubChem CID144880881
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name(E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide
SMILESCC/C=C(\CNC(=O)/C(=C/CC)c1ccccc1NC)c1cc(Cl)ccc1NC
InChIInChI=1S/C24H30ClN3O/c1-5-9-17(21-15-18(25)13-14-23(21)27-4)16-28-24(29)20(10-6-2)19-11-7-8-12-22(19)26-3/h7-15,26-27H,5-6,16H2,1-4H3,(H,28,29)/b17-9+,20-10+
InChIKeyPDCOOWIOFDCLPF-NOPJRILXSA-N
XLogP5.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide?
The IUPAC name of (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide (CID 144880881) is (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide.
What is the SMILES notation for (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide?
The canonical SMILES for (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide is CC/C=C(\CNC(=O)/C(=C/CC)c1ccccc1NC)c1cc(Cl)ccc1NC.
What is the InChIKey of (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide?
The InChIKey is PDCOOWIOFDCLPF-NOPJRILXSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-5-9-17(21-15-18(25)13-14-23(21)27-4)16-28-24(29)20(10-6-2)19-11-7-8-12-22(19)26-3/h7-15,26-27H,5-6,16H2,1-4H3,(H,28,29)/b17-9+,20-10+.
What are the key properties of (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide?
(E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide has a molecular weight of 411.98 g/mol, XLogP of 5.83, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-2-[5-chloro-2-(methylamino)phenyl]pent-2-enyl]-2-[2-(methylamino)phenyl]pent-2-enamide is sourced from PubChem (CID 144880881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).