3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C24H31N3O5 — CID 54837010

IUPAC3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCOCCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C24H31N3O5/c1-2-30-13-14-32-22-11-4-3-10-21(22)27-23(28)17-25-19-8-5-7-18(15-19)24(29)26-16-20-9-6-12-31-20/h3-5,7-8,10-11,15,20,25H,2,6,9,12-14,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyLOGJCQYCBBJSIY-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.06
Rot. Bonds12

About 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54837010) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54837010
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCOCCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C24H31N3O5/c1-2-30-13-14-32-22-11-4-3-10-21(22)27-23(28)17-25-19-8-5-7-18(15-19)24(29)26-16-20-9-6-12-31-20/h3-5,7-8,10-11,15,20,25H,2,6,9,12-14,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyLOGJCQYCBBJSIY-UHFFFAOYSA-N
XLogP3.06
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54837255
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836569
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
2-(2-ethoxyethoxy)-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17202708
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837036
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54837010) is 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is CCOCCOc1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LOGJCQYCBBJSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-2-30-13-14-32-22-11-4-3-10-21(22)27-23(28)17-25-19-8-5-7-18(15-19)24(29)26-16-20-9-6-12-31-20/h3-5,7-8,10-11,15,20,25H,2,6,9,12-14,16-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.06, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54837010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).