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

C22H27N3O4 — CID 54838016

IUPACN-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C22H27N3O4/c1-2-23-22(27)16-7-5-8-17(13-16)24-14-21(26)25-19-10-3-4-11-20(19)29-15-18-9-6-12-28-18/h3-5,7-8,10-11,13,18,24H,2,6,9,12,14-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyOHAICAPCWJCAGX-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.04
Rot. Bonds9

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

N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54838016) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
PubChem CID54838016
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C22H27N3O4/c1-2-23-22(27)16-7-5-8-17(13-16)24-14-21(26)25-19-10-3-4-11-20(19)29-15-18-9-6-12-28-18/h3-5,7-8,10-11,13,18,24H,2,6,9,12,14-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyOHAICAPCWJCAGX-UHFFFAOYSA-N
XLogP3.04
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54830103
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
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
N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54839143

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (CID 54838016) is N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is CCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1.
What is the InChIKey of N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is OHAICAPCWJCAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-23-22(27)16-7-5-8-17(13-16)24-14-21(26)25-19-10-3-4-11-20(19)29-15-18-9-6-12-28-18/h3-5,7-8,10-11,13,18,24H,2,6,9,12,14-15H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54838016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).