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

C13H18N2O2 — CID 62214191

IUPACN-[4-(aminomethyl)phenyl]oxane-2-carboxamide
SMILESNCc1ccc(NC(=O)C2CCCCO2)cc1
InChIInChI=1S/C13H18N2O2/c14-9-10-4-6-11(7-5-10)15-13(16)12-3-1-2-8-17-12/h4-7,12H,1-3,8-9,14H2,(H,15,16)
InChIKeyOUWKFMNLMXVVCQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.65
Rot. Bonds3

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

N-[4-(aminomethyl)phenyl]oxane-2-carboxamide (PubChem CID 62214191) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]oxane-2-carboxamide
PubChem CID62214191
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[4-(aminomethyl)phenyl]oxane-2-carboxamide
SMILESNCc1ccc(NC(=O)C2CCCCO2)cc1
InChIInChI=1S/C13H18N2O2/c14-9-10-4-6-11(7-5-10)15-13(16)12-3-1-2-8-17-12/h4-7,12H,1-3,8-9,14H2,(H,15,16)
InChIKeyOUWKFMNLMXVVCQ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
CID 62212827
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]oxane-2-carboxamide
CID 62301919
3-[4-(oxane-2-carbonylamino)phenyl]propanoic acid
CID 115339436
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide
CID 82260089
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]oxane-2-carboxamide
CID 120566581
oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309341
N-phenyloxolane-2-carboxamide
CID 3453643

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]oxane-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]oxane-2-carboxamide (CID 62214191) is N-[4-(aminomethyl)phenyl]oxane-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]oxane-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]oxane-2-carboxamide is NCc1ccc(NC(=O)C2CCCCO2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]oxane-2-carboxamide?
The InChIKey is OUWKFMNLMXVVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-10-4-6-11(7-5-10)15-13(16)12-3-1-2-8-17-12/h4-7,12H,1-3,8-9,14H2,(H,15,16).
What are the key properties of N-[4-(aminomethyl)phenyl]oxane-2-carboxamide?
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]oxane-2-carboxamide is sourced from PubChem (CID 62214191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).