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

C19H27N3O5 — CID 171627638

IUPAC3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane
SMILESCC.CNC(=O)C(CCC=O)N(C=O)C(=O)c1cccc(NC(C)=O)c1C
InChIInChI=1S/C17H21N3O5.C2H6/c1-11-13(6-4-7-14(11)19-12(2)23)17(25)20(10-22)15(8-5-9-21)16(24)18-3;1-2/h4,6-7,9-10,15H,5,8H2,1-3H3,(H,18,24)(H,19,23);1-2H3
InChIKeyPSMQFXWWTRWKBK-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.67
Rot. Bonds8

About 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane

3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane (PubChem CID 171627638) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane.

Molecular Properties

Compound Name3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane
PubChem CID171627638
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane
SMILESCC.CNC(=O)C(CCC=O)N(C=O)C(=O)c1cccc(NC(C)=O)c1C
InChIInChI=1S/C17H21N3O5.C2H6/c1-11-13(6-4-7-14(11)19-12(2)23)17(25)20(10-22)15(8-5-9-21)16(24)18-3;1-2/h4,6-7,9-10,15H,5,8H2,1-3H3,(H,18,24)(H,19,23);1-2H3
InChIKeyPSMQFXWWTRWKBK-UHFFFAOYSA-N
XLogP1.67
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-[2-(2-propoxyethoxy)ethylamino]benzamide
CID 174321847
N-formyl-4-hydroxy-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 142327258
3-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 145229617
N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-(12-oxododecylamino)benzamide;methanol
CID 155749242
2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane
CID 153393704
(Z)-but-2-ene;N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-[2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]benzamide
CID 176700029
ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 171641510
tert-butyl 2-[3-[2,6-dioxohexan-3-yl(formyl)carbamoyl]-2-methylphenoxy]acetate;ethane
CID 178004565
N-formyl-2-methyl-4-(methylamino)-N-[1-(methylamino)-1-oxohex-5-en-2-yl]benzamide
CID 170074247
2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 142365578
2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide
CID 167039405
5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170737850

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane?
The IUPAC name of 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane (CID 171627638) is 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane.
What is the SMILES notation for 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane?
The canonical SMILES for 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane is CC.CNC(=O)C(CCC=O)N(C=O)C(=O)c1cccc(NC(C)=O)c1C.
What is the InChIKey of 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane?
The InChIKey is PSMQFXWWTRWKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5.C2H6/c1-11-13(6-4-7-14(11)19-12(2)23)17(25)20(10-22)15(8-5-9-21)16(24)18-3;1-2/h4,6-7,9-10,15H,5,8H2,1-3H3,(H,18,24)(H,19,23);1-2H3.
What are the key properties of 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane?
3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane has a molecular weight of 377.44 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane is sourced from PubChem (CID 171627638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).