N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide

C15H18N2O3 — CID 106297306

IUPACN-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
SMILESNCC1(NC(=O)c2cc3ccccc3o2)CCOCC1
InChIInChI=1S/C15H18N2O3/c16-10-15(5-7-19-8-6-15)17-14(18)13-9-11-3-1-2-4-12(11)20-13/h1-4,9H,5-8,10,16H2,(H,17,18)
InChIKeyJMYOQVUEJZVBPY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.67
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 106297306) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
PubChem CID106297306
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
SMILESNCC1(NC(=O)c2cc3ccccc3o2)CCOCC1
InChIInChI=1S/C15H18N2O3/c16-10-15(5-7-19-8-6-15)17-14(18)13-9-11-3-1-2-4-12(11)20-13/h1-4,9H,5-8,10,16H2,(H,17,18)
InChIKeyJMYOQVUEJZVBPY-UHFFFAOYSA-N
XLogP1.67
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 103954201
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-benzofuran-2-carboxamide
CID 114304186
N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-benzofuran-2-carboxamide
CID 71977522
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106297158
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758782
N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120937372
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 106297128
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138
N-[1-(4-fluorophenyl)cyclopentyl]-1-benzofuran-2-carboxamide
CID 51126172
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide (CID 106297306) is N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide is NCC1(NC(=O)c2cc3ccccc3o2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is JMYOQVUEJZVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-10-15(5-7-19-8-6-15)17-14(18)13-9-11-3-1-2-4-12(11)20-13/h1-4,9H,5-8,10,16H2,(H,17,18).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106297306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).