3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide

C14H20N2O2 — CID 54915859

IUPAC3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2CCCO2)cc1N
InChIInChI=1S/C14H20N2O2/c1-10-4-5-11(9-13(10)15)14(17)16-7-6-12-3-2-8-18-12/h4-5,9,12H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyVXSXFNGKHYPMGX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.88
Rot. Bonds4

About 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide

3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 54915859) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID54915859
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2CCCO2)cc1N
InChIInChI=1S/C14H20N2O2/c1-10-4-5-11(9-13(10)15)14(17)16-7-6-12-3-2-8-18-12/h4-5,9,12H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyVXSXFNGKHYPMGX-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.88
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-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 54917511
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 54915859) is 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCC2CCCO2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is VXSXFNGKHYPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-5-11(9-13(10)15)14(17)16-7-6-12-3-2-8-18-12/h4-5,9,12H,2-3,6-8,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide?
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 54915859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).