4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride

C15H24ClN3O2 — CID 67108272

IUPAC4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.[Cl-].[H+]
InChIInChI=1S/C15H23N3O2.ClH/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19;/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19);1H
InChIKeyIYEWBJUCJHKLHD-UHFFFAOYSA-N
MW313.83 g/mol
LogP-1.17
Rot. Bonds7

About 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride

4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride (PubChem CID 67108272) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride.

Molecular Properties

Compound Name4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
PubChem CID67108272
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.[Cl-].[H+]
InChIInChI=1S/C15H23N3O2.ClH/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19;/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19);1H
InChIKeyIYEWBJUCJHKLHD-UHFFFAOYSA-N
XLogP-1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride?
The IUPAC name of 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride (CID 67108272) is 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride.
What is the SMILES notation for 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride?
The canonical SMILES for 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride is CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1.[Cl-].[H+].
What is the InChIKey of 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride?
The InChIKey is IYEWBJUCJHKLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19;/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19);1H.
What are the key properties of 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride?
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride has a molecular weight of 313.83 g/mol, XLogP of -1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride is sourced from PubChem (CID 67108272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).