4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide

C26H29N3O4 — CID 54827216

IUPAC4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C26H29N3O4/c1-2-16-27-26(31)20-12-14-21(15-13-20)29-25(30)19-28-23-10-6-7-11-24(23)33-18-17-32-22-8-4-3-5-9-22/h3-15,28H,2,16-19H2,1H3,(H,27,31)(H,29,30)
InChIKeyYKMHIYUAGUVABB-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.33
Rot. Bonds12

About 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide

4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide (PubChem CID 54827216) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide
PubChem CID54827216
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C26H29N3O4/c1-2-16-27-26(31)20-12-14-21(15-13-20)29-25(30)19-28-23-10-6-7-11-24(23)33-18-17-32-22-8-4-3-5-9-22/h3-15,28H,2,16-19H2,1H3,(H,27,31)(H,29,30)
InChIKeyYKMHIYUAGUVABB-UHFFFAOYSA-N
XLogP4.33
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836272
N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54826939
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826935
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide (CID 54827216) is 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide?
The InChIKey is YKMHIYUAGUVABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-2-16-27-26(31)20-12-14-21(15-13-20)29-25(30)19-28-23-10-6-7-11-24(23)33-18-17-32-22-8-4-3-5-9-22/h3-15,28H,2,16-19H2,1H3,(H,27,31)(H,29,30).
What are the key properties of 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide?
4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide has a molecular weight of 447.54 g/mol, XLogP of 4.33, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54827216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).