3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide

C21H25N3O4 — CID 55892925

IUPAC3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-12-22-20(26)15-8-10-17(11-9-15)23-21(27)16-6-5-7-18(13-16)28-14-19(25)24(2)3/h5-11,13H,4,12,14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyXXUZVDUAIQBJFN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.55
Rot. Bonds8

About 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide

3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide (PubChem CID 55892925) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
PubChem CID55892925
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-12-22-20(26)15-8-10-17(11-9-15)23-21(27)16-6-5-7-18(13-16)28-14-19(25)24(2)3/h5-11,13H,4,12,14H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyXXUZVDUAIQBJFN-UHFFFAOYSA-N
XLogP2.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218835
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775627
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
CID 131913633
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide
CID 46760461

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide (CID 55892925) is 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccc(NC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is XXUZVDUAIQBJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-12-22-20(26)15-8-10-17(11-9-15)23-21(27)16-6-5-7-18(13-16)28-14-19(25)24(2)3/h5-11,13H,4,12,14H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide?
3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55892925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).