N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide

C27H27NO5 — CID 135359423

IUPACN-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C27H27NO5/c1-30-23-14-12-20(10-11-21-17-24(31-2)27(33-4)25(18-21)32-3)16-22(23)28-26(29)15-13-19-8-6-5-7-9-19/h5-18H,1-4H3,(H,28,29)
InChIKeyMTGKIWVRYZUUGF-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.54
Rot. Bonds9

About N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide

N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 135359423) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
PubChem CID135359423
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC NameN-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C27H27NO5/c1-30-23-14-12-20(10-11-21-17-24(31-2)27(33-4)25(18-21)32-3)16-22(23)28-26(29)15-13-19-8-6-5-7-9-19/h5-18H,1-4H3,(H,28,29)
InChIKeyMTGKIWVRYZUUGF-UHFFFAOYSA-N
XLogP5.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
(E)-3-(2-aminophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359897
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
(E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
CID 135359583
(E)-3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359579
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360292
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359986
(E)-N-[2-hydroxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 135359522
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359720

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide (CID 135359423) is N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide is COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is MTGKIWVRYZUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5/c1-30-23-14-12-20(10-11-21-17-24(31-2)27(33-4)25(18-21)32-3)16-22(23)28-26(29)15-13-19-8-6-5-7-9-19/h5-18H,1-4H3,(H,28,29).
What are the key properties of N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide?
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 445.52 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 135359423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).