4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide

C16H22N2O3 — CID 62232839

IUPAC4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2Cc3ccccc3O2)CCOCC1
InChIInChI=1S/C16H22N2O3/c17-11-16(5-7-20-8-6-16)15(19)18-10-13-9-12-3-1-2-4-14(12)21-13/h1-4,13H,5-11,17H2,(H,18,19)
InChIKeyNLDCBMUCJUCYBP-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.86
Rot. Bonds4

About 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide (PubChem CID 62232839) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide
PubChem CID62232839
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2Cc3ccccc3O2)CCOCC1
InChIInChI=1S/C16H22N2O3/c17-11-16(5-7-20-8-6-16)15(19)18-10-13-9-12-3-1-2-4-14(12)21-13/h1-4,13H,5-11,17H2,(H,18,19)
InChIKeyNLDCBMUCJUCYBP-UHFFFAOYSA-N
XLogP0.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657
[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol
CID 103766545
2-(1-aminocyclopentyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 64676743
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104043
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104585916
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide (CID 62232839) is 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide is NCC1(C(=O)NCC2Cc3ccccc3O2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is NLDCBMUCJUCYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-11-16(5-7-20-8-6-16)15(19)18-10-13-9-12-3-1-2-4-14(12)21-13/h1-4,13H,5-11,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 62232839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).