N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide

C23H23N3O4 — CID 54824228

IUPACN-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H23N3O4/c1-2-13-30-21-8-4-3-7-20(21)24-16-22(27)26-18-11-9-17(10-12-18)23(28)25-15-19-6-5-14-29-19/h2-12,14,24H,1,13,15-16H2,(H,25,28)(H,26,27)
InChIKeyHCNDYWUXFSRDQX-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.83
Rot. Bonds10

About N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide

N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (PubChem CID 54824228) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
PubChem CID54824228
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H23N3O4/c1-2-13-30-21-8-4-3-7-20(21)24-16-22(27)26-18-11-9-17(10-12-18)23(28)25-15-19-6-5-14-29-19/h2-12,14,24H,1,13,15-16H2,(H,25,28)(H,26,27)
InChIKeyHCNDYWUXFSRDQX-UHFFFAOYSA-N
XLogP3.83
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]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-(furan-2-ylmethyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824255
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-(furan-2-ylmethyl)-3-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817531
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54843141
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638354
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54842956
N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide (CID 54824228) is N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is C=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
The InChIKey is HCNDYWUXFSRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-13-30-21-8-4-3-7-20(21)24-16-22(27)26-18-11-9-17(10-12-18)23(28)25-15-19-6-5-14-29-19/h2-12,14,24H,1,13,15-16H2,(H,25,28)(H,26,27).
What are the key properties of N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide?
N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.83, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54824228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).