N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide

C22H27N3O4 — CID 54839143

IUPACN-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-23-22(27)16-8-10-17(11-9-16)24-14-21(26)25-18-5-3-6-19(13-18)29-15-20-7-4-12-28-20/h3,5-6,8-11,13,20,24H,2,4,7,12,14-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyCRDYSADMPOYNGE-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.04
Rot. Bonds9

About N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide

N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54839143) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
PubChem CID54839143
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C22H27N3O4/c1-2-23-22(27)16-8-10-17(11-9-16)24-14-21(26)25-18-5-3-6-19(13-18)29-15-20-7-4-12-28-20/h3,5-6,8-11,13,20,24H,2,4,7,12,14-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyCRDYSADMPOYNGE-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

N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
N-butan-2-yl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54834406
N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828719
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836569
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54842734
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (CID 54839143) is N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is CCNC(=O)c1ccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)cc1.
What is the InChIKey of N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is CRDYSADMPOYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-2-23-22(27)16-8-10-17(11-9-16)24-14-21(26)25-18-5-3-6-19(13-18)29-15-20-7-4-12-28-20/h3,5-6,8-11,13,20,24H,2,4,7,12,14-15H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
N-ethyl-4-[[2-oxo-2-[3-(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-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54839143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).