3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide

C21H27N3O3 — CID 54838865

IUPAC3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCC)c2)c1
InChIInChI=1S/C21H27N3O3/c1-3-11-22-21(26)16-7-5-8-17(13-16)23-15-20(25)24-18-9-6-10-19(14-18)27-12-4-2/h5-10,13-14,23H,3-4,11-12,15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyRFTZBPKACMUSBE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.67
Rot. Bonds10

About 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide

3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide (PubChem CID 54838865) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
PubChem CID54838865
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCC)c2)c1
InChIInChI=1S/C21H27N3O3/c1-3-11-22-21(26)16-7-5-8-17(13-16)23-15-20(25)24-18-9-6-10-19(14-18)27-12-4-2/h5-10,13-14,23H,3-4,11-12,15H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyRFTZBPKACMUSBE-UHFFFAOYSA-N
XLogP3.67
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838866
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54823369
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
3-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838782
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
3-[[2-(4-heptoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54821404
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide (CID 54838865) is 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCC)c2)c1.
What is the InChIKey of 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide?
The InChIKey is RFTZBPKACMUSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-11-22-21(26)16-7-5-8-17(13-16)23-15-20(25)24-18-9-6-10-19(14-18)27-12-4-2/h5-10,13-14,23H,3-4,11-12,15H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide?
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 3.67, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54838865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).