3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide

C15H20N2O3 — CID 166305920

IUPAC3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide
SMILESCOC1(C(=O)NCC2COc3ccccc32)CC(N)C1
InChIInChI=1S/C15H20N2O3/c1-19-15(6-11(16)7-15)14(18)17-8-10-9-20-13-5-3-2-4-12(10)13/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)
InChIKeyQWVOWBOZJSNDCY-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.79
Rot. Bonds4

About 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide

3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide (PubChem CID 166305920) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide
PubChem CID166305920
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide
SMILESCOC1(C(=O)NCC2COc3ccccc32)CC(N)C1
InChIInChI=1S/C15H20N2O3/c1-19-15(6-11(16)7-15)14(18)17-8-10-9-20-13-5-3-2-4-12(10)13/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)
InChIKeyQWVOWBOZJSNDCY-UHFFFAOYSA-N
XLogP0.79
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119762199
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491892
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
CID 129350678
2-(2,3-dihydro-1-benzofuran-3-yl)ethyl acetate
CID 15732877
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
[formyl(methyl)amino]methyl 2-(2,3-dihydro-1-benzofuran-3-yl)acetate
CID 102225499
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide
CID 110751057
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide (CID 166305920) is 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide is COC1(C(=O)NCC2COc3ccccc32)CC(N)C1.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide?
The InChIKey is QWVOWBOZJSNDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-15(6-11(16)7-15)14(18)17-8-10-9-20-13-5-3-2-4-12(10)13/h2-5,10-11H,6-9,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide?
3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 166305920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).