4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C17H26N2O4 — CID 78856899

IUPAC4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NC(C)CO)C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-5-23-14-8-6-13(7-9-14)16(21)19-15(11(2)3)17(22)18-12(4)10-20/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyWBURQSMRAWVOJD-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.34
Rot. Bonds8

About 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 78856899) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID78856899
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NC(C)CO)C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-5-23-14-8-6-13(7-9-14)16(21)19-15(11(2)3)17(22)18-12(4)10-20/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyWBURQSMRAWVOJD-UHFFFAOYSA-N
XLogP1.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-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-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 78856899) is 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C(=O)NC(C)CO)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is WBURQSMRAWVOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-23-14-8-6-13(7-9-14)16(21)19-15(11(2)3)17(22)18-12(4)10-20/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,22)(H,19,21).
What are the key properties of 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 78856899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).