N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide

C24H23N3O2 — CID 24614903

IUPACN-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O2/c28-23(26-19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-25-22-9-5-4-8-21(22)24(29)27-20-14-15-20/h1-13,20,25H,14-16H2,(H,26,28)(H,27,29)
InChIKeyISMANCHNGUMINY-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.30
Rot. Bonds7

About N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide

N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide (PubChem CID 24614903) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
PubChem CID24614903
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O2/c28-23(26-19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-25-22-9-5-4-8-21(22)24(29)27-20-14-15-20/h1-13,20,25H,14-16H2,(H,26,28)(H,27,29)
InChIKeyISMANCHNGUMINY-UHFFFAOYSA-N
XLogP4.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide (CID 24614903) is N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide is O=C(CNc1ccccc1C(=O)NC1CC1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide?
The InChIKey is ISMANCHNGUMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23(26-19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-25-22-9-5-4-8-21(22)24(29)27-20-14-15-20/h1-13,20,25H,14-16H2,(H,26,28)(H,27,29).
What are the key properties of N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide?
N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide is sourced from PubChem (CID 24614903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).