4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide

C19H28N2O3 — CID 2975014

IUPAC4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC(C(=O)NCC2CCCO2)C(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-4-14-7-9-15(10-8-14)18(22)21-17(13(2)3)19(23)20-12-16-6-5-11-24-16/h7-10,13,16-17H,4-6,11-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBIXJJQDCDDRCGX-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.30
Rot. Bonds7

About 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide

4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide (PubChem CID 2975014) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
PubChem CID2975014
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC(C(=O)NCC2CCCO2)C(C)C)cc1
InChIInChI=1S/C19H28N2O3/c1-4-14-7-9-15(10-8-14)18(22)21-17(13(2)3)19(23)20-12-16-6-5-11-24-16/h7-10,13,16-17H,4-6,11-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBIXJJQDCDDRCGX-UHFFFAOYSA-N
XLogP2.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-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-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide (CID 2975014) is 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide is CCc1ccc(C(=O)NC(C(=O)NCC2CCCO2)C(C)C)cc1.
What is the InChIKey of 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide?
The InChIKey is BIXJJQDCDDRCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-14-7-9-15(10-8-14)18(22)21-17(13(2)3)19(23)20-12-16-6-5-11-24-16/h7-10,13,16-17H,4-6,11-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide?
4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 2975014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).