4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

C18H25ClN2O5 — CID 6459529

IUPAC4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCOc1ccc2oc(C(=O)NCCN3CCOCC3)c(C)c2c1OC.Cl
InChIInChI=1S/C18H24N2O5.ClH/c1-12-15-13(4-5-14(22-2)17(15)23-3)25-16(12)18(21)19-6-7-20-8-10-24-11-9-20;/h4-5H,6-11H2,1-3H3,(H,19,21);1H
InChIKeyIIMFLVYKJIOWOR-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.24
Rot. Bonds6

About 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride

4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 6459529) has the molecular formula C18H25ClN2O5 and a molecular weight of 384.86 g/mol. Its IUPAC name is 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID6459529
Molecular FormulaC18H25ClN2O5
Molecular Weight384.86 g/mol
Exact Mass384.15
IUPAC Name4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCOc1ccc2oc(C(=O)NCCN3CCOCC3)c(C)c2c1OC.Cl
InChIInChI=1S/C18H24N2O5.ClH/c1-12-15-13(4-5-14(22-2)17(15)23-3)25-16(12)18(21)19-6-7-20-8-10-24-11-9-20;/h4-5H,6-11H2,1-3H3,(H,19,21);1H
InChIKeyIIMFLVYKJIOWOR-UHFFFAOYSA-N
XLogP2.24
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4974013
2-methoxy-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110761441
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 110336758
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride (CID 6459529) is 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is COc1ccc2oc(C(=O)NCCN3CCOCC3)c(C)c2c1OC.Cl.
What is the InChIKey of 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is IIMFLVYKJIOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5.ClH/c1-12-15-13(4-5-14(22-2)17(15)23-3)25-16(12)18(21)19-6-7-20-8-10-24-11-9-20;/h4-5H,6-11H2,1-3H3,(H,19,21);1H.
What are the key properties of 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride?
4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 384.86 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-3-methyl-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 6459529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).