N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide

C25H25NO5 — CID 118060721

IUPACN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)ccc1OC
InChIInChI=1S/C25H25NO5/c1-6-23(28)26-19-15-16(8-11-22(19)30-5)7-10-20(27)17-9-12-21(29-4)18-13-14-25(2,3)31-24(17)18/h6-15H,1H2,2-5H3,(H,26,28)/b10-7+
InChIKeyWJGFLMANBVPITN-JXMROGBWSA-N
MW419.48 g/mol
LogP4.91
Rot. Bonds7

About N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide

N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide (PubChem CID 118060721) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
PubChem CID118060721
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC NameN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)ccc1OC
InChIInChI=1S/C25H25NO5/c1-6-23(28)26-19-15-16(8-11-22(19)30-5)7-10-20(27)17-9-12-21(29-4)18-13-14-25(2,3)31-24(17)18/h6-15H,1H2,2-5H3,(H,26,28)/b10-7+
InChIKeyWJGFLMANBVPITN-JXMROGBWSA-N
XLogP4.91
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]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

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide (CID 118060721) is N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is WJGFLMANBVPITN-JXMROGBWSA-N. The full InChI is InChI=1S/C25H25NO5/c1-6-23(28)26-19-15-16(8-11-22(19)30-5)7-10-20(27)17-9-12-21(29-4)18-13-14-25(2,3)31-24(17)18/h6-15H,1H2,2-5H3,(H,26,28)/b10-7+.
What are the key properties of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide?
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide has a molecular weight of 419.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 118060721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).