2-amino-N-(oxolan-2-ylmethyl)benzamide

C12H16N2O2 — CID 3135654

IUPAC2-amino-N-(oxolan-2-ylmethyl)benzamide
SMILESNc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C12H16N2O2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
InChIKeyGXJMUCRPBMVLOM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-N-(oxolan-2-ylmethyl)benzamide

2-amino-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3135654) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3135654
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-N-(oxolan-2-ylmethyl)benzamide
SMILESNc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C12H16N2O2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
InChIKeyGXJMUCRPBMVLOM-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-(oxolan-2-ylmethyl)benzamide (CID 3135654) is 2-amino-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-(oxolan-2-ylmethyl)benzamide is Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-amino-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is GXJMUCRPBMVLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15).
What are the key properties of 2-amino-N-(oxolan-2-ylmethyl)benzamide?
2-amino-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 220.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3135654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).