(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

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Related Compounds

5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
CID 58987816
5-chloro-N-methyl-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167870
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)benzamide
CID 113478170
5-chloro-N-ethyl-N-(2-methoxyethyl)-2-(methylamino)benzamide
CID 55046766
methyl N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylcarbamate
CID 90781958
4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
CID 91609196
2-oxoethyl 2-(methylamino)benzoate
CID 143044559

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).