4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide

C26H29N3O3 — CID 54836155

IUPAC4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-2-17-27-26(31)21-8-10-22(11-9-21)28-19-25(30)29-23-12-14-24(15-13-23)32-18-16-20-6-4-3-5-7-20/h3-15,28H,2,16-19H2,1H3,(H,27,31)(H,29,30)
InChIKeyFHUXJAROYWVILT-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.50
Rot. Bonds11

About 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide

4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide (PubChem CID 54836155) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
PubChem CID54836155
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3/c1-2-17-27-26(31)21-8-10-22(11-9-21)28-19-25(30)29-23-12-14-24(15-13-23)32-18-16-20-6-4-3-5-7-20/h3-15,28H,2,16-19H2,1H3,(H,27,31)(H,29,30)
InChIKeyFHUXJAROYWVILT-UHFFFAOYSA-N
XLogP4.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide
CID 54818682
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54827216
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide (CID 54836155) is 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide?
The InChIKey is FHUXJAROYWVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-2-17-27-26(31)21-8-10-22(11-9-21)28-19-25(30)29-23-12-14-24(15-13-23)32-18-16-20-6-4-3-5-7-20/h3-15,28H,2,16-19H2,1H3,(H,27,31)(H,29,30).
What are the key properties of 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide?
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide has a molecular weight of 431.54 g/mol, XLogP of 4.50, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54836155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).