3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide

C13H18N2O2 — CID 113396103

IUPAC3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(N)cc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c1-9-5-10(7-11(14)6-9)13(16)15-8-12-3-2-4-17-12/h5-7,12H,2-4,8,14H2,1H3,(H,15,16)
InChIKeyWTMSWLNWNKREFQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.49
Rot. Bonds3

About 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide

3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 113396103) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID113396103
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(N)cc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H18N2O2/c1-9-5-10(7-11(14)6-9)13(16)15-8-12-3-2-4-17-12/h5-7,12H,2-4,8,14H2,1H3,(H,15,16)
InChIKeyWTMSWLNWNKREFQ-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.49
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

3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 113396103) is 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(N)cc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WTMSWLNWNKREFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-10(7-11(14)6-9)13(16)15-8-12-3-2-4-17-12/h5-7,12H,2-4,8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide?
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 113396103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).