(E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide

C26H23NO5 — CID 23471833

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(=O)c4ccc(C)c(C)c4oc3c2)cc1OC
InChIInChI=1S/C26H23NO5/c1-15-5-9-20-25(29)19-10-8-18(14-22(19)32-26(20)16(15)2)27-24(28)12-7-17-6-11-21(30-3)23(13-17)31-4/h5-14H,1-4H3,(H,27,28)/b12-7+
InChIKeyDVLQMXRAUPQTGS-KPKJPENVSA-N
MW429.47 g/mol
LogP5.23
Rot. Bonds5

About (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide (PubChem CID 23471833) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide
PubChem CID23471833
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(=O)c4ccc(C)c(C)c4oc3c2)cc1OC
InChIInChI=1S/C26H23NO5/c1-15-5-9-20-25(29)19-10-8-18(14-22(19)32-26(20)16(15)2)27-24(28)12-7-17-6-11-21(30-3)23(13-17)31-4/h5-14H,1-4H3,(H,27,28)/b12-7+
InChIKeyDVLQMXRAUPQTGS-KPKJPENVSA-N
XLogP5.23
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)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

Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 2676703
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-dibenzofuran-3-ylprop-2-enamide
CID 60553556
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 36676916
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3365657
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 9490512
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359720
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide (CID 23471833) is (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc3c(=O)c4ccc(C)c(C)c4oc3c2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide?
The InChIKey is DVLQMXRAUPQTGS-KPKJPENVSA-N. The full InChI is InChI=1S/C26H23NO5/c1-15-5-9-20-25(29)19-10-8-18(14-22(19)32-26(20)16(15)2)27-24(28)12-7-17-6-11-21(30-3)23(13-17)31-4/h5-14H,1-4H3,(H,27,28)/b12-7+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide has a molecular weight of 429.47 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide is sourced from PubChem (CID 23471833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).