3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide

C12H14N2O3 — CID 43822725

IUPAC3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NC1CCOC1=O
InChIInChI=1S/C12H14N2O3/c1-7-8(3-2-4-9(7)13)11(15)14-10-5-6-17-12(10)16/h2-4,10H,5-6,13H2,1H3,(H,14,15)
InChIKeyZWNMJBRMHPEQEP-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.62
Rot. Bonds2

About 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide

3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide (PubChem CID 43822725) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide
PubChem CID43822725
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NC1CCOC1=O
InChIInChI=1S/C12H14N2O3/c1-7-8(3-2-4-9(7)13)11(15)14-10-5-6-17-12(10)16/h2-4,10H,5-6,13H2,1H3,(H,14,15)
InChIKeyZWNMJBRMHPEQEP-UHFFFAOYSA-N
XLogP0.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide
CID 43822721
3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107036
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
4-carbamothioyl-N-(2-oxooxolan-3-yl)benzamide
CID 43822810
5-chloro-2-hydroxy-N-(2-oxooxolan-3-yl)benzamide
CID 43824572
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
2-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-nitrobenzamide
CID 108734181
1-(3-amino-2-methylphenyl)-2-methylprop-2-en-1-one
CID 116604333
N-(2-oxooxolan-3-yl)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-benzimidazole-4-carboxamide
CID 143922291
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide (CID 43822725) is 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide is Cc1c(N)cccc1C(=O)NC1CCOC1=O.
What is the InChIKey of 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide?
The InChIKey is ZWNMJBRMHPEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-8(3-2-4-9(7)13)11(15)14-10-5-6-17-12(10)16/h2-4,10H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide?
3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide has a molecular weight of 234.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide is sourced from PubChem (CID 43822725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).