4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

C25H35N3O4 — CID 54835385

IUPAC4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1
InChIInChI=1S/C25H35N3O4/c1-3-4-5-6-18-32-23-14-12-22(13-15-23)28-24(29)19-27-21-10-8-20(9-11-21)25(30)26-16-7-17-31-2/h8-15,27H,3-7,16-19H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyGUDOGAXQWXOCRU-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.46
Rot. Bonds15

About 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54835385) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54835385
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC Name4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1
InChIInChI=1S/C25H35N3O4/c1-3-4-5-6-18-32-23-14-12-22(13-15-23)28-24(29)19-27-21-10-8-20(9-11-21)25(30)26-16-7-17-31-2/h8-15,27H,3-7,16-19H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyGUDOGAXQWXOCRU-UHFFFAOYSA-N
XLogP4.46
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.46
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-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
4-[[2-(4-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54820861
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
3-[[2-(4-heptoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54821404

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (CID 54835385) is 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is CCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1.
What is the InChIKey of 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is GUDOGAXQWXOCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-3-4-5-6-18-32-23-14-12-22(13-15-23)28-24(29)19-27-21-10-8-20(9-11-21)25(30)26-16-7-17-31-2/h8-15,27H,3-7,16-19H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 441.57 g/mol, XLogP of 4.46, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54835385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).