N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide

C23H31N3O3 — CID 108789964

IUPACN-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-4-26(5-2)16-15-24-23(28)19-8-10-20(11-9-19)25-22(27)14-17-29-21-12-6-18(3)7-13-21/h6-13H,4-5,14-17H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyNYGAJTYXNXIMJG-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.47
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide

N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide (PubChem CID 108789964) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
PubChem CID108789964
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1
InChIInChI=1S/C23H31N3O3/c1-4-26(5-2)16-15-24-23(28)19-8-10-20(11-9-19)25-22(27)14-17-29-21-12-6-18(3)7-13-21/h6-13H,4-5,14-17H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyNYGAJTYXNXIMJG-UHFFFAOYSA-N
XLogP3.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
N-[4-[3-(diethylamino)propanoylamino]phenyl]-4-methylbenzamide
CID 50955133
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 8000257
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 120669281
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide (CID 108789964) is N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide?
The InChIKey is NYGAJTYXNXIMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-26(5-2)16-15-24-23(28)19-8-10-20(11-9-19)25-22(27)14-17-29-21-12-6-18(3)7-13-21/h6-13H,4-5,14-17H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide?
N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.47, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 108789964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).