N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C20H22N2O5 — CID 1320377

IUPACN-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-13(23)21-15-6-5-7-16(12-15)22-19(24)9-8-14-10-17(25-2)20(27-4)18(11-14)26-3/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyDPBUPCQHSVPHPU-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.32
Rot. Bonds7

About N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 1320377) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID1320377
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-13(23)21-15-6-5-7-16(12-15)22-19(24)9-8-14-10-17(25-2)20(27-4)18(11-14)26-3/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKeyDPBUPCQHSVPHPU-UHFFFAOYSA-N
XLogP3.32
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)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)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359720
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
methyl 3-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzoate
CID 3338274
(E)-3-(3,4-dihydroxyphenyl)-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359510
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(E)-N-(5-acetamido-2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39976511
(E)-N-(3-ethynylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51330036
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 1320377) is N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2cccc(NC(C)=O)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is DPBUPCQHSVPHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(23)21-15-6-5-7-16(12-15)22-19(24)9-8-14-10-17(25-2)20(27-4)18(11-14)26-3/h5-12H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 370.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1320377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).