N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide

C22H29N3O2 — CID 26163528

IUPACN-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-4-25(5-2)15-14-23-22(27)18-10-12-20(13-11-18)24-21(26)16-19-9-7-6-8-17(19)3/h6-13H,4-5,14-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyBXIXOJUZDAJDHD-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.25
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide

N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide (PubChem CID 26163528) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
PubChem CID26163528
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-4-25(5-2)15-14-23-22(27)18-10-12-20(13-11-18)24-21(26)16-19-9-7-6-8-17(19)3/h6-13H,4-5,14-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyBXIXOJUZDAJDHD-UHFFFAOYSA-N
XLogP3.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
CID 4793474
N-(2-methoxyethyl)-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163515
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
N-(4-acetylphenyl)-2-(2-methylphenyl)acetamide
CID 24696355
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200
[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamic acid;pyrrolidine-2,5-dione
CID 174911748

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide (CID 26163528) is N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2C)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide?
The InChIKey is BXIXOJUZDAJDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-25(5-2)15-14-23-22(27)18-10-12-20(13-11-18)24-21(26)16-19-9-7-6-8-17(19)3/h6-13H,4-5,14-16H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 26163528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).