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

C12H16N2O2 — CID 723405

IUPAC4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESNc1ccc(C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C12H16N2O2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8,13H2,(H,14,15)/t11-/m0/s1
InChIKeyVFMDYLPJOGARCK-NSHDSACASA-N
MW220.27 g/mol
LogP1.18
Rot. Bonds3

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

4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 723405) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID723405
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESNc1ccc(C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C12H16N2O2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8,13H2,(H,14,15)/t11-/m0/s1
InChIKeyVFMDYLPJOGARCK-NSHDSACASA-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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Related Compounds

4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-[3-(4-aminophenyl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54795337
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
CID 95153483
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 723405) is 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is VFMDYLPJOGARCK-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8,13H2,(H,14,15)/t11-/m0/s1.
What are the key properties of 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-amino-N-[[(2S)-oxolan-2-yl]methyl]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 4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 723405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).