3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate

C19H28N2O4 — CID 142520951

IUPAC3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C)CC1.Cc1ccc(C(=O)NCC=O)cc1C
InChIInChI=1S/C11H13NO2.C8H15NO2/c1-8-3-4-10(7-9(8)2)11(14)12-5-6-13;1-9-5-3-7(4-6-9)8(10)11-2/h3-4,6-7H,5H2,1-2H3,(H,12,14);7H,3-6H2,1-2H3
InChIKeyDJWOMGLAUSDJQH-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.73
Rot. Bonds4

About 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate

3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate (PubChem CID 142520951) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate
PubChem CID142520951
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C)CC1.Cc1ccc(C(=O)NCC=O)cc1C
InChIInChI=1S/C11H13NO2.C8H15NO2/c1-8-3-4-10(7-9(8)2)11(14)12-5-6-13;1-9-5-3-7(4-6-9)8(10)11-2/h3-4,6-7H,5H2,1-2H3,(H,12,14);7H,3-6H2,1-2H3
InChIKeyDJWOMGLAUSDJQH-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 82163375
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845
methyl 1-[N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111255019
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
methyl 1-(3,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 56593212
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate?
The IUPAC name of 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate (CID 142520951) is 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate.
What is the SMILES notation for 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate?
The canonical SMILES for 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate is COC(=O)C1CCN(C)CC1.Cc1ccc(C(=O)NCC=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate?
The InChIKey is DJWOMGLAUSDJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C8H15NO2/c1-8-3-4-10(7-9(8)2)11(14)12-5-6-13;1-9-5-3-7(4-6-9)8(10)11-2/h3-4,6-7H,5H2,1-2H3,(H,12,14);7H,3-6H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate?
3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 142520951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).