3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide

C23H31N3O2 — CID 119048341

IUPAC3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide
SMILESCCN(CC)CCc1ccc(NC(=O)CCc2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-4-26(5-2)16-15-18-9-12-21(13-10-18)25-22(27)14-11-19-7-6-8-20(17-19)23(28)24-3/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyJAZQUYMIVCDBQM-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.50
Rot. Bonds10

About 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide

3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide (PubChem CID 119048341) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide
PubChem CID119048341
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide
SMILESCCN(CC)CCc1ccc(NC(=O)CCc2cccc(C(=O)NC)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-4-26(5-2)16-15-18-9-12-21(13-10-18)25-22(27)14-11-19-7-6-8-20(17-19)23(28)24-3/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyJAZQUYMIVCDBQM-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125
N-[4-[2-(diethylamino)ethyl]phenyl]-3-(furan-3-yl)propanamide
CID 119048340
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]benzoic acid
CID 120512961
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780710
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-[2-[[N-[3-(diethylamino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634579
3-ethyl-N-methylbenzamide
CID 59115297
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
CID 114299156
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide?
The IUPAC name of 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide (CID 119048341) is 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide?
The canonical SMILES for 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide is CCN(CC)CCc1ccc(NC(=O)CCc2cccc(C(=O)NC)c2)cc1.
What is the InChIKey of 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide?
The InChIKey is JAZQUYMIVCDBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-26(5-2)16-15-18-9-12-21(13-10-18)25-22(27)14-11-19-7-6-8-20(17-19)23(28)24-3/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide?
3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[2-(diethylamino)ethyl]anilino]-3-oxopropyl]-N-methylbenzamide is sourced from PubChem (CID 119048341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).