N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide

C16H23N2O4+ — CID 3576034

IUPACN-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCOc1cc2c(cc1NC(=O)C[NH+]1CCOCC1)OC(C)C2
InChIInChI=1S/C16H22N2O4/c1-11-7-12-8-15(20-2)13(9-14(12)22-11)17-16(19)10-18-3-5-21-6-4-18/h8-9,11H,3-7,10H2,1-2H3,(H,17,19)/p+1
InChIKeyLWKUFRHTFNHFFC-UHFFFAOYSA-O
MW307.37 g/mol
LogP-0.13
Rot. Bonds4

About N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide

N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 3576034) has the molecular formula C16H23N2O4+ and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID3576034
Molecular FormulaC16H23N2O4+
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide
SMILESCOc1cc2c(cc1NC(=O)C[NH+]1CCOCC1)OC(C)C2
InChIInChI=1S/C16H22N2O4/c1-11-7-12-8-15(20-2)13(9-14(12)22-11)17-16(19)10-18-3-5-21-6-4-18/h8-9,11H,3-7,10H2,1-2H3,(H,17,19)/p+1
InChIKeyLWKUFRHTFNHFFC-UHFFFAOYSA-O
XLogP-0.13
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide with MolForge

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Related Compounds

N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-1-ium-1-ylacetamide
CID 4553179
N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide
CID 7141209
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8903926
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 4742368
2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543828
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744
N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55462433
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55461951
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methoxybenzamide
CID 17417438

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide (CID 3576034) is N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide is COc1cc2c(cc1NC(=O)C[NH+]1CCOCC1)OC(C)C2.
What is the InChIKey of N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is LWKUFRHTFNHFFC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N2O4/c1-11-7-12-8-15(20-2)13(9-14(12)22-11)17-16(19)10-18-3-5-21-6-4-18/h8-9,11H,3-7,10H2,1-2H3,(H,17,19)/p+1.
What are the key properties of N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide?
N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 307.37 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 3576034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).