N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide

C23H27N3O4 — CID 54837255

IUPACN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide
SMILESC=CCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H27N3O4/c1-2-12-30-21-11-4-3-10-20(21)26-22(27)16-24-18-8-5-7-17(14-18)23(28)25-15-19-9-6-13-29-19/h2-5,7-8,10-11,14,19,24H,1,6,9,12-13,15-16H2,(H,25,28)(H,26,27)
InChIKeyQLXGHOGDUJNNRK-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.21
Rot. Bonds10

About N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide

N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide (PubChem CID 54837255) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide
PubChem CID54837255
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide
SMILESC=CCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H27N3O4/c1-2-12-30-21-11-4-3-10-20(21)26-22(27)16-24-18-8-5-7-17(14-18)23(28)25-15-19-9-6-13-29-19/h2-5,7-8,10-11,14,19,24H,1,6,9,12-13,15-16H2,(H,25,28)(H,26,27)
InChIKeyQLXGHOGDUJNNRK-UHFFFAOYSA-N
XLogP3.21
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837010
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837036
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54812102
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836834
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide (CID 54837255) is N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide is C=CCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide?
The InChIKey is QLXGHOGDUJNNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-2-12-30-21-11-4-3-10-20(21)26-22(27)16-24-18-8-5-7-17(14-18)23(28)25-15-19-9-6-13-29-19/h2-5,7-8,10-11,14,19,24H,1,6,9,12-13,15-16H2,(H,25,28)(H,26,27).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide has a molecular weight of 409.49 g/mol, XLogP of 3.21, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54837255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).