3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide

C23H29N3O4 — CID 54838811

IUPAC3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C23H29N3O4/c1-2-12-24-23(28)17-7-5-8-18(14-17)25-15-22(27)26-20-10-3-4-11-21(20)30-16-19-9-6-13-29-19/h3-5,7-8,10-11,14,19,25H,2,6,9,12-13,15-16H2,1H3,(H,24,28)(H,26,27)
InChIKeyXMFRWJNLIADEBH-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.43
Rot. Bonds10

About 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide

3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide (PubChem CID 54838811) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
PubChem CID54838811
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C23H29N3O4/c1-2-12-24-23(28)17-7-5-8-18(14-17)25-15-22(27)26-20-10-3-4-11-21(20)30-16-19-9-6-13-29-19/h3-5,7-8,10-11,14,19,25H,2,6,9,12-13,15-16H2,1H3,(H,24,28)(H,26,27)
InChIKeyXMFRWJNLIADEBH-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

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Related Compounds

N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837010
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54830103
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54837255
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide (CID 54838811) is 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1.
What is the InChIKey of 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide?
The InChIKey is XMFRWJNLIADEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-12-24-23(28)17-7-5-8-18(14-17)25-15-22(27)26-20-10-3-4-11-21(20)30-16-19-9-6-13-29-19/h3-5,7-8,10-11,14,19,25H,2,6,9,12-13,15-16H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide?
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide 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 3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54838811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).