4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide

C17H26N2O3 — CID 35513820

IUPAC4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NCCCOC
InChIInChI=1S/C17H26N2O3/c1-17(2,3)14-8-6-13(7-9-14)16(21)19-12-15(20)18-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyNLSKJKFXMWACSG-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.40
Rot. Bonds8

About 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide (PubChem CID 35513820) has the molecular formula C17H26N2O3 and a molecular weight of 306.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
PubChem CID35513820
Molecular FormulaC17H26N2O3
Molecular Weight306.40 g/mol
Exact Mass306.19
IUPAC Name4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
SMILESCC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NCCCOC
InChIInChI=1S/C17H26N2O3/c1-17(2,3)14-8-6-13(7-9-14)16(21)19-12-15(20)18-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyNLSKJKFXMWACSG-UHFFFAOYSA-N
XLogP2.40
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity355

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide (CID 35513820) is 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide is CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NCCCOC.
What is the InChIKey of 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
The InChIKey is NLSKJKFXMWACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)14-8-6-13(7-9-14)16(21)19-12-15(20)18-10-5-11-22-4/h6-9H,5,10-12H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide has a molecular weight of 306.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 35513820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).