N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide

C20H28N2O4 — CID 22935937

IUPACN-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide
SMILESCCC1OCC(=O)C1NC(=O)C(CCC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-4-17-18(16(23)12-26-17)22-20(25)15(11-10-13(2)3)21-19(24)14-8-6-5-7-9-14/h5-9,13,15,17-18H,4,10-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKLCFEASEDMLHGH-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.08
Rot. Bonds8

About N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide

N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide (PubChem CID 22935937) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide
PubChem CID22935937
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide
SMILESCCC1OCC(=O)C1NC(=O)C(CCC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C20H28N2O4/c1-4-17-18(16(23)12-26-17)22-20(25)15(11-10-13(2)3)21-19(24)14-8-6-5-7-9-14/h5-9,13,15,17-18H,4,10-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKLCFEASEDMLHGH-UHFFFAOYSA-N
XLogP2.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-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

Related Compounds

N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 143243394
N-[1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]-4-(propan-2-ylsulfanylamino)benzamide
CID 143243356
N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852
4-(benzylamino)-N-[(2S)-3-(1-methylcyclopentyl)-1-oxo-1-[[(3S)-4-oxo-2-propyloxolan-3-yl]amino]propan-2-yl]benzamide
CID 143243476
4-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopent-4-en-2-yl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 91489455
N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide
CID 67075324
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 91442080
2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide
CID 90757931
3-amino-N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-5-fluorobenzamide
CID 70326171
N-[(2S)-1-[[(2S,3S)-2-ethyl-4-oxooxolan-3-yl]amino]-3-(1-methylcyclopentyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 70325462

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide?
The IUPAC name of N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide (CID 22935937) is N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide is CCC1OCC(=O)C1NC(=O)C(CCC(C)C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide?
The InChIKey is KLCFEASEDMLHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-17-18(16(23)12-26-17)22-20(25)15(11-10-13(2)3)21-19(24)14-8-6-5-7-9-14/h5-9,13,15,17-18H,4,10-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide?
N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide has a molecular weight of 360.45 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide is sourced from PubChem (CID 22935937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).