N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide

C23H31N3O2 — CID 4793474

IUPACN-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-5-26(6-2)14-13-24-23(28)20-9-11-21(12-10-20)25-22(27)16-19-8-7-17(3)18(4)15-19/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyZAFRUCWFOCBPJB-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.56
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide

N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide (PubChem CID 4793474) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
PubChem CID4793474
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-5-26(6-2)14-13-24-23(28)20-9-11-21(12-10-20)25-22(27)16-19-8-7-17(3)18(4)15-19/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyZAFRUCWFOCBPJB-UHFFFAOYSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
4-[[2-(3,4-dimethylphenyl)acetyl]amino]-N,N-diethylbenzamide
CID 8503741
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
2-(3,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 2664751
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 8000257
4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 7940143
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
N-[2-(diethylamino)ethyl]-4-[(4-fluoro-3-methylphenyl)carbamothioylamino]benzamide
CID 53488605

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide (CID 4793474) is N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide?
The InChIKey is ZAFRUCWFOCBPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-26(6-2)14-13-24-23(28)20-9-11-21(12-10-20)25-22(27)16-19-8-7-17(3)18(4)15-19/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[[2-(3,4-dimethylphenyl)acetyl]amino]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.56, 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-(3,4-dimethylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 4793474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).