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

C26H28N4O3 — CID 54833237

IUPACN-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)c1
InChIInChI=1S/C26H28N4O3/c1-3-24(31)28-22-13-9-11-20(17-22)27-18-25(32)29-21-12-8-10-19(16-21)26(33)30(4-2)23-14-6-5-7-15-23/h5-17,27H,3-4,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyPSMRYCUILMOYFK-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.75
Rot. Bonds9

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

N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 54833237) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
PubChem CID54833237
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)c1
InChIInChI=1S/C26H28N4O3/c1-3-24(31)28-22-13-9-11-20(17-22)27-18-25(32)29-21-12-8-10-19(16-21)26(33)30(4-2)23-14-6-5-7-15-23/h5-17,27H,3-4,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyPSMRYCUILMOYFK-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

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Related Compounds

N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
N-ethyl-3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838962
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54839033
N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838884
N-ethyl-N-phenyl-3-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823205
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834724

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide (CID 54833237) is N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide is CCC(=O)Nc1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)c1.
What is the InChIKey of N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is PSMRYCUILMOYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-3-24(31)28-22-13-9-11-20(17-22)27-18-25(32)29-21-12-8-10-19(16-21)26(33)30(4-2)23-14-6-5-7-15-23/h5-17,27H,3-4,18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide?
N-ethyl-N-phenyl-3-[[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-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54833237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).