N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide

C26H28N4O3 — CID 54833295

IUPACN-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)c1
InChIInChI=1S/C26H28N4O3/c1-3-24(31)29-22-10-8-9-21(17-22)27-18-25(32)28-20-15-13-19(14-16-20)26(33)30(4-2)23-11-6-5-7-12-23/h5-17,27H,3-4,18H2,1-2H3,(H,28,32)(H,29,31)
InChIKeySMKJJDZPJONDEO-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.75
Rot. Bonds9

About N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide

N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 54833295) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
PubChem CID54833295
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)c1
InChIInChI=1S/C26H28N4O3/c1-3-24(31)29-22-10-8-9-21(17-22)27-18-25(32)28-20-15-13-19(14-16-20)26(33)30(4-2)23-11-6-5-7-12-23/h5-17,27H,3-4,18H2,1-2H3,(H,28,32)(H,29,31)
InChIKeySMKJJDZPJONDEO-UHFFFAOYSA-N
XLogP4.75
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838274
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
CID 54812803
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838181

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide (CID 54833295) is N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide is CCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)c1.
What is the InChIKey of N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is SMKJJDZPJONDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-3-24(31)29-22-10-8-9-21(17-22)27-18-25(32)28-20-15-13-19(14-16-20)26(33)30(4-2)23-11-6-5-7-12-23/h5-17,27H,3-4,18H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide?
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54833295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).