3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide

C14H20N2O2 — CID 114107036

IUPAC3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NC1CCOC(C)C1
InChIInChI=1S/C14H20N2O2/c1-9-8-11(6-7-18-9)16-14(17)12-4-3-5-13(15)10(12)2/h3-5,9,11H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyBBAVIZDPBPZGEI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.87
Rot. Bonds2

About 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide

3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide (PubChem CID 114107036) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
PubChem CID114107036
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
SMILESCc1c(N)cccc1C(=O)NC1CCOC(C)C1
InChIInChI=1S/C14H20N2O2/c1-9-8-11(6-7-18-9)16-14(17)12-4-3-5-13(15)10(12)2/h3-5,9,11H,6-8,15H2,1-2H3,(H,16,17)
InChIKeyBBAVIZDPBPZGEI-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376
2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107021
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
2-amino-N-(2-methyloxan-4-yl)-5-nitrobenzamide
CID 102977113
3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide
CID 43822725
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
CID 114108461

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide (CID 114107036) is 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide is Cc1c(N)cccc1C(=O)NC1CCOC(C)C1.
What is the InChIKey of 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is BBAVIZDPBPZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-8-11(6-7-18-9)16-14(17)12-4-3-5-13(15)10(12)2/h3-5,9,11H,6-8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide?
3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 114107036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).