3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide

C21H25N3O5 — CID 55777943

IUPAC3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)c1
InChIInChI=1S/C21H25N3O5/c1-4-22-19(25)13-28-18-10-6-8-16(12-18)23-21(27)15-7-5-9-17(11-15)29-14-20(26)24(2)3/h5-12H,4,13-14H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyRUGYLXCQSAUAIU-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.92
Rot. Bonds9

About 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide

3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 55777943) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
PubChem CID55777943
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)c1
InChIInChI=1S/C21H25N3O5/c1-4-22-19(25)13-28-18-10-6-8-16(12-18)23-21(27)15-7-5-9-17(11-15)29-14-20(26)24(2)3/h5-12H,4,13-14H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyRUGYLXCQSAUAIU-UHFFFAOYSA-N
XLogP1.92
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55892925
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55655729
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775627
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 34875961
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119713905
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide (CID 55777943) is 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide is CCNC(=O)COc1cccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is RUGYLXCQSAUAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-4-22-19(25)13-28-18-10-6-8-16(12-18)23-21(27)15-7-5-9-17(11-15)29-14-20(26)24(2)3/h5-12H,4,13-14H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 55777943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).