4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide

C22H27N3O3 — CID 39020952

IUPAC4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(CNC(C)=O)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-4-25(5-2)22(28)20-12-8-18(9-13-20)15-24-21(27)19-10-6-17(7-11-19)14-23-16(3)26/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPPQAAHIJSBYNMZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.73
Rot. Bonds8

About 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide

4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 39020952) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID39020952
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(CNC(C)=O)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-4-25(5-2)22(28)20-12-8-18(9-13-20)15-24-21(27)19-10-6-17(7-11-19)14-23-16(3)26/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPPQAAHIJSBYNMZ-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
CID 86983565
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
CID 111102347
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
CID 87025092
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
4-[[[(2S)-2-aminopropanoyl]amino]methyl]-N,N-diethylbenzamide
CID 119283561
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
CID 24670472
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501
4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
CID 119712847
2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
CID 112821498

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide (CID 39020952) is 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide is CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(CNC(C)=O)cc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is PPQAAHIJSBYNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-25(5-2)22(28)20-12-8-18(9-13-20)15-24-21(27)19-10-6-17(7-11-19)14-23-16(3)26/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide?
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 39020952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).