4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide

C26H34N2O3 — CID 58965361

IUPAC4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NC(C)C(=O)NC2CCc3ccccc3C2)cc1
InChIInChI=1S/C26H34N2O3/c1-3-4-5-8-17-31-24-15-12-21(13-16-24)26(30)27-19(2)25(29)28-23-14-11-20-9-6-7-10-22(20)18-23/h6-7,9-10,12-13,15-16,19,23H,3-5,8,11,14,17-18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyKESXWGDGUNIUTR-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.44
Rot. Bonds10

About 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide

4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide (PubChem CID 58965361) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide
PubChem CID58965361
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NC(C)C(=O)NC2CCc3ccccc3C2)cc1
InChIInChI=1S/C26H34N2O3/c1-3-4-5-8-17-31-24-15-12-21(13-16-24)26(30)27-19(2)25(29)28-23-14-11-20-9-6-7-10-22(20)18-23/h6-7,9-10,12-13,15-16,19,23H,3-5,8,11,14,17-18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyKESXWGDGUNIUTR-UHFFFAOYSA-N
XLogP4.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide?
The IUPAC name of 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide (CID 58965361) is 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide is CCCCCCOc1ccc(C(=O)NC(C)C(=O)NC2CCc3ccccc3C2)cc1.
What is the InChIKey of 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide?
The InChIKey is KESXWGDGUNIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-3-4-5-8-17-31-24-15-12-21(13-16-24)26(30)27-19(2)25(29)28-23-14-11-20-9-6-7-10-22(20)18-23/h6-7,9-10,12-13,15-16,19,23H,3-5,8,11,14,17-18H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide?
4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide has a molecular weight of 422.57 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-yl]benzamide is sourced from PubChem (CID 58965361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).