(Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one

C27H29NO6 — CID 134378132

IUPAC(Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\Nc2cccc(CCc3cc(OC)c(OC)c(OC)c3)c2)cc1O
InChIInChI=1S/C27H29NO6/c1-31-24-11-10-20(17-23(24)30)22(29)12-13-28-21-7-5-6-18(14-21)8-9-19-15-25(32-2)27(34-4)26(16-19)33-3/h5-7,10-17,28,30H,8-9H2,1-4H3/b13-12-
InChIKeyNNFTZVCRAFSARB-SEYXRHQNSA-N
MW463.53 g/mol
LogP5.02
Rot. Bonds11

About (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one

(Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one (PubChem CID 134378132) has the molecular formula C27H29NO6 and a molecular weight of 463.53 g/mol. Its IUPAC name is (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one
PubChem CID134378132
Molecular FormulaC27H29NO6
Molecular Weight463.53 g/mol
Exact Mass463.20
IUPAC Name(Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C\Nc2cccc(CCc3cc(OC)c(OC)c(OC)c3)c2)cc1O
InChIInChI=1S/C27H29NO6/c1-31-24-11-10-20(17-23(24)30)22(29)12-13-28-21-7-5-6-18(14-21)8-9-19-15-25(32-2)27(34-4)26(16-19)33-3/h5-7,10-17,28,30H,8-9H2,1-4H3/b13-12-
InChIKeyNNFTZVCRAFSARB-SEYXRHQNSA-N
XLogP5.02
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one 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)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 140697991
(Z)-3-[2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]-1-(3-fluorophenyl)prop-2-en-1-one
CID 134378486
(Z)-3-(3-chloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 98392202
1-(3-fluoro-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154345209
1-(3-amino-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154161434
1-phenyl-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154121936
ethyl 3-[[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 2287929
3-(4-iodoanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 988320
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
1-(4-hydroxyphenyl)-3-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154251055
(E)-3-(3,4-difluoroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 51045827
3-[[(Z)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 7348792

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one?
The IUPAC name of (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one (CID 134378132) is (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one?
The canonical SMILES for (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one is COc1ccc(C(=O)/C=C\Nc2cccc(CCc3cc(OC)c(OC)c(OC)c3)c2)cc1O.
What is the InChIKey of (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one?
The InChIKey is NNFTZVCRAFSARB-SEYXRHQNSA-N. The full InChI is InChI=1S/C27H29NO6/c1-31-24-11-10-20(17-23(24)30)22(29)12-13-28-21-7-5-6-18(14-21)8-9-19-15-25(32-2)27(34-4)26(16-19)33-3/h5-7,10-17,28,30H,8-9H2,1-4H3/b13-12-.
What are the key properties of (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one?
(Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one has a molecular weight of 463.53 g/mol, XLogP of 5.02, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethyl]anilino]prop-2-en-1-one is sourced from PubChem (CID 134378132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).