N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide

C26H28N4O3 — CID 54837990

IUPACN-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C26H28N4O3/c1-3-27-25(32)20-11-7-13-22(15-20)28-17-24(31)30-23-14-8-12-21(16-23)26(33)29-18(2)19-9-5-4-6-10-19/h4-16,18,28H,3,17H2,1-2H3,(H,27,32)(H,29,33)(H,30,31)
InChIKeyKUYRXMFTPSLWGM-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.98
Rot. Bonds9

About N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide

N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide (PubChem CID 54837990) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
PubChem CID54837990
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C26H28N4O3/c1-3-27-25(32)20-11-7-13-22(15-20)28-17-24(31)30-23-14-8-12-21(16-23)26(33)29-18(2)19-9-5-4-6-10-19/h4-16,18,28H,3,17H2,1-2H3,(H,27,32)(H,29,33)(H,30,31)
InChIKeyKUYRXMFTPSLWGM-UHFFFAOYSA-N
XLogP3.98
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
N-(1-phenylethyl)-3-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811860
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide (CID 54837990) is N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide is CCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1.
What is the InChIKey of N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide?
The InChIKey is KUYRXMFTPSLWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-3-27-25(32)20-11-7-13-22(15-20)28-17-24(31)30-23-14-8-12-21(16-23)26(33)29-18(2)19-9-5-4-6-10-19/h4-16,18,28H,3,17H2,1-2H3,(H,27,32)(H,29,33)(H,30,31).
What are the key properties of N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide?
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.98, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54837990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).