3-formamido-N-(2-methoxyethyl)-2-methylbenzamide

C12H16N2O3 — CID 168654330

IUPAC3-formamido-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCNC(=O)c1cccc(NC=O)c1C
InChIInChI=1S/C12H16N2O3/c1-9-10(12(16)13-6-7-17-2)4-3-5-11(9)14-8-15/h3-5,8H,6-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyPTDLIXAAJANTSU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.94
Rot. Bonds6

About 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide

3-formamido-N-(2-methoxyethyl)-2-methylbenzamide (PubChem CID 168654330) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-formamido-N-(2-methoxyethyl)-2-methylbenzamide
PubChem CID168654330
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-formamido-N-(2-methoxyethyl)-2-methylbenzamide
SMILESCOCCNC(=O)c1cccc(NC=O)c1C
InChIInChI=1S/C12H16N2O3/c1-9-10(12(16)13-6-7-17-2)4-3-5-11(9)14-8-15/h3-5,8H,6-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyPTDLIXAAJANTSU-UHFFFAOYSA-N
XLogP0.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-formamido-2-methyl-N-(2-methylpropyl)benzamide
CID 168651028
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methoxyethyl)-2-methylbenzamide
CID 168637570
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
N-(2-methoxyethyl)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 146170341
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
2-(ethylsulfonylamino)-N-(2-methoxyethyl)benzamide
CID 47141588
3-[[3-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyethyl)-2-methylbenzamide
CID 131921932
(Z)-2-cyano-3-(2,3-dimethylanilino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833289
2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-methoxyethyl)benzamide
CID 17150424
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487

Frequently Asked Questions

What is the IUPAC name of 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide?
The IUPAC name of 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide (CID 168654330) is 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide is COCCNC(=O)c1cccc(NC=O)c1C.
What is the InChIKey of 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide?
The InChIKey is PTDLIXAAJANTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-10(12(16)13-6-7-17-2)4-3-5-11(9)14-8-15/h3-5,8H,6-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide?
3-formamido-N-(2-methoxyethyl)-2-methylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-N-(2-methoxyethyl)-2-methylbenzamide is sourced from PubChem (CID 168654330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).