N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide

C18H21N2O4+ — CID 3330031

IUPACN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1c(C(=O)C2CC2)oc2ccccc12
InChIInChI=1S/C18H20N2O4/c21-15(11-20-7-9-23-10-8-20)19-16-13-3-1-2-4-14(13)24-18(16)17(22)12-5-6-12/h1-4,12H,5-11H2,(H,19,21)/p+1
InChIKeyKFKWFVBKDFNNCK-UHFFFAOYSA-O
MW329.38 g/mol
LogP0.88
Rot. Bonds5

About N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide

N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 3330031) has the molecular formula C18H21N2O4+ and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide
PubChem CID3330031
Molecular FormulaC18H21N2O4+
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1c(C(=O)C2CC2)oc2ccccc12
InChIInChI=1S/C18H20N2O4/c21-15(11-20-7-9-23-10-8-20)19-16-13-3-1-2-4-14(13)24-18(16)17(22)12-5-6-12/h1-4,12H,5-11H2,(H,19,21)/p+1
InChIKeyKFKWFVBKDFNNCK-UHFFFAOYSA-O
XLogP0.88
TPSA72.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
CID 608478
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
CID 7141196
2-morpholin-4-ium-4-yl-N-(2-phenylphenyl)acetamide
CID 6951855
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-morpholin-4-ium-4-ylacetamide
CID 7037712
3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
CID 7159624
N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide
CID 1254089
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6951792
3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 22511134
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6993865

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide (CID 3330031) is N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)Nc1c(C(=O)C2CC2)oc2ccccc12.
What is the InChIKey of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is KFKWFVBKDFNNCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20N2O4/c21-15(11-20-7-9-23-10-8-20)19-16-13-3-1-2-4-14(13)24-18(16)17(22)12-5-6-12/h1-4,12H,5-11H2,(H,19,21)/p+1.
What are the key properties of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide?
N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 329.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 3330031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).