N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

C16H20N2O4 — CID 155583326

IUPACN-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C=O)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H20N2O4/c1-11-6-7-12(2)13(9-11)16(22)18(10-20)14(5-4-8-19)15(21)17-3/h6-10,14H,4-5H2,1-3H3,(H,17,21)
InChIKeyFRFFHKLYUXTFRQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.00
Rot. Bonds7

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

N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (PubChem CID 155583326) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
PubChem CID155583326
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C=O)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H20N2O4/c1-11-6-7-12(2)13(9-11)16(22)18(10-20)14(5-4-8-19)15(21)17-3/h6-10,14H,4-5H2,1-3H3,(H,17,21)
InChIKeyFRFFHKLYUXTFRQ-UHFFFAOYSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The IUPAC name of N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (CID 155583326) is N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.
What is the SMILES notation for N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The canonical SMILES for N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is CNC(=O)C(CCC=O)N(C=O)C(=O)c1cc(C)ccc1C.
What is the InChIKey of N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The InChIKey is FRFFHKLYUXTFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-6-7-12(2)13(9-11)16(22)18(10-20)14(5-4-8-19)15(21)17-3/h6-10,14H,4-5H2,1-3H3,(H,17,21).
What are the key properties of N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide has a molecular weight of 304.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2,5-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is sourced from PubChem (CID 155583326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).