N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide

C23H26N2O4 — CID 26993761

IUPACN-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-3-13-29-20-11-7-16(14-21(20)28-2)8-12-22(26)24-19-6-4-5-17(15-19)23(27)25-18-9-10-18/h4-8,11-12,14-15,18H,3,9-10,13H2,1-2H3,(H,24,26)(H,25,27)/b12-8+
InChIKeyARJPCJSRQILLFA-XYOKQWHBSA-N
MW394.47 g/mol
LogP4.03
Rot. Bonds9

About N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide

N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide (PubChem CID 26993761) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
PubChem CID26993761
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-3-13-29-20-11-7-16(14-21(20)28-2)8-12-22(26)24-19-6-4-5-17(15-19)23(27)25-18-9-10-18/h4-8,11-12,14-15,18H,3,9-10,13H2,1-2H3,(H,24,26)(H,25,27)/b12-8+
InChIKeyARJPCJSRQILLFA-XYOKQWHBSA-N
XLogP4.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide 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

N-cyclopentyl-4-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzamide
CID 55896123
N-cyclopentyl-4-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
CID 98873929
N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 3477452
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788
propyl 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 3431507
3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218973
3-(3-methoxy-4-propoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3477866
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32849699
(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
CID 2071597

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide (CID 26993761) is N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide is CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1OC.
What is the InChIKey of N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is ARJPCJSRQILLFA-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-13-29-20-11-7-16(14-21(20)28-2)8-12-22(26)24-19-6-4-5-17(15-19)23(27)25-18-9-10-18/h4-8,11-12,14-15,18H,3,9-10,13H2,1-2H3,(H,24,26)(H,25,27)/b12-8+.
What are the key properties of N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide?
N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 394.47 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 26993761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).