ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

C17H24N2O4 — CID 171641510

IUPACethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCC.CNC(=O)C(CCC=O)N(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C15H18N2O4.C2H6/c1-16-14(20)13(8-5-9-18)17(2)15(21)12-7-4-3-6-11(12)10-19;1-2/h3-4,6-7,9-10,13H,5,8H2,1-2H3,(H,16,20);1-2H3
InChIKeySHYUBLOVUXBPBP-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.69
Rot. Bonds7

About ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (PubChem CID 171641510) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.

Molecular Properties

Compound Nameethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
PubChem CID171641510
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCC.CNC(=O)C(CCC=O)N(C)C(=O)c1ccccc1C=O
InChIInChI=1S/C15H18N2O4.C2H6/c1-16-14(20)13(8-5-9-18)17(2)15(21)12-7-4-3-6-11(12)10-19;1-2/h3-4,6-7,9-10,13H,5,8H2,1-2H3,(H,16,20);1-2H3
InChIKeySHYUBLOVUXBPBP-UHFFFAOYSA-N
XLogP1.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-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

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
(R)-Thalidomide
CID 75792
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
3-N-[(1R,3S,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-1,6-dimethylheptan-4-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 11657376
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]naphthalene-2-carboxamide
CID 157049311
VU 0357017 Hydrochloride
CID 25010775
N-(2,6-dioxopiperidin-3-yl)benzamide
CID 341427
Proglumide sodium
CID 23677833
2-Isoindolineacetamide, 1,3-dioxo-N-ethyl-
CID 52943
Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
CID 106343

Frequently Asked Questions

What is the IUPAC name of ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The IUPAC name of ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (CID 171641510) is ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.
What is the SMILES notation for ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The canonical SMILES for ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is CC.CNC(=O)C(CCC=O)N(C)C(=O)c1ccccc1C=O.
What is the InChIKey of ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The InChIKey is SHYUBLOVUXBPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4.C2H6/c1-16-14(20)13(8-5-9-18)17(2)15(21)12-7-4-3-6-11(12)10-19;1-2/h3-4,6-7,9-10,13H,5,8H2,1-2H3,(H,16,20);1-2H3.
What are the key properties of ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is sourced from PubChem (CID 171641510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).