3-amino-N-(oxan-2-ylmethyl)benzamide

C13H18N2O2 — CID 55013985

IUPAC3-amino-N-(oxan-2-ylmethyl)benzamide
SMILESNc1cccc(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C13H18N2O2/c14-11-5-3-4-10(8-11)13(16)15-9-12-6-1-2-7-17-12/h3-5,8,12H,1-2,6-7,9,14H2,(H,15,16)
InChIKeyCWYCTWXOIGXUJN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.57
Rot. Bonds3

About 3-amino-N-(oxan-2-ylmethyl)benzamide

3-amino-N-(oxan-2-ylmethyl)benzamide (PubChem CID 55013985) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(oxan-2-ylmethyl)benzamide
PubChem CID55013985
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-(oxan-2-ylmethyl)benzamide
SMILESNc1cccc(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C13H18N2O2/c14-11-5-3-4-10(8-11)13(16)15-9-12-6-1-2-7-17-12/h3-5,8,12H,1-2,6-7,9,14H2,(H,15,16)
InChIKeyCWYCTWXOIGXUJN-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(oxan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-(oxan-2-ylmethyl)benzamide (CID 55013985) is 3-amino-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(oxan-2-ylmethyl)benzamide is Nc1cccc(C(=O)NCC2CCCCO2)c1.
What is the InChIKey of 3-amino-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is CWYCTWXOIGXUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-5-3-4-10(8-11)13(16)15-9-12-6-1-2-7-17-12/h3-5,8,12H,1-2,6-7,9,14H2,(H,15,16).
What are the key properties of 3-amino-N-(oxan-2-ylmethyl)benzamide?
3-amino-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 55013985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).