N-[2-(aminomethyl)phenyl]oxane-4-carboxamide

C13H18N2O2 — CID 63754854

IUPACN-[2-(aminomethyl)phenyl]oxane-4-carboxamide
SMILESNCc1ccccc1NC(=O)C1CCOCC1
InChIInChI=1S/C13H18N2O2/c14-9-11-3-1-2-4-12(11)15-13(16)10-5-7-17-8-6-10/h1-4,10H,5-9,14H2,(H,15,16)
InChIKeyCFTZATHVEJGXAA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.51
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]oxane-4-carboxamide

N-[2-(aminomethyl)phenyl]oxane-4-carboxamide (PubChem CID 63754854) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]oxane-4-carboxamide
PubChem CID63754854
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(aminomethyl)phenyl]oxane-4-carboxamide
SMILESNCc1ccccc1NC(=O)C1CCOCC1
InChIInChI=1S/C13H18N2O2/c14-9-11-3-1-2-4-12(11)15-13(16)10-5-7-17-8-6-10/h1-4,10H,5-9,14H2,(H,15,16)
InChIKeyCFTZATHVEJGXAA-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
3-[2-(oxane-4-carbonylamino)phenyl]propanoic acid
CID 107272409
N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
CID 64884692
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide
CID 61287366
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide
CID 62047509
N-[2-(methanesulfonamido)phenyl]oxane-4-carboxamide
CID 113093430
N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113046674
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]oxane-4-carboxamide (CID 63754854) is N-[2-(aminomethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]oxane-4-carboxamide is NCc1ccccc1NC(=O)C1CCOCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]oxane-4-carboxamide?
The InChIKey is CFTZATHVEJGXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-11-3-1-2-4-12(11)15-13(16)10-5-7-17-8-6-10/h1-4,10H,5-9,14H2,(H,15,16).
What are the key properties of N-[2-(aminomethyl)phenyl]oxane-4-carboxamide?
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 63754854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).