N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide

C23H29N3O4 — CID 54822674

IUPACN-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-13-29-20-11-9-18(10-12-20)24-16-22(27)26-19-7-5-17(6-8-19)23(28)25-15-21-4-3-14-30-21/h5-12,21,24H,2-4,13-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyJEYGPYPMAPGXBG-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.43
Rot. Bonds10

About N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide

N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide (PubChem CID 54822674) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
PubChem CID54822674
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-13-29-20-11-9-18(10-12-20)24-16-22(27)26-19-7-5-17(6-8-19)23(28)25-15-21-4-3-14-30-21/h5-12,21,24H,2-4,13-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyJEYGPYPMAPGXBG-UHFFFAOYSA-N
XLogP3.43
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836696
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54830059
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836569
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide (CID 54822674) is N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide is CCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide?
The InChIKey is JEYGPYPMAPGXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-13-29-20-11-9-18(10-12-20)24-16-22(27)26-19-7-5-17(6-8-19)23(28)25-15-21-4-3-14-30-21/h5-12,21,24H,2-4,13-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.43, 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)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54822674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).