(2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C18H19NO4 — CID 9453568

IUPAC(2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2
InChIInChI=1S/C18H19NO4/c1-11-8-12-9-13(10-16(22-3)17(12)23-11)18(20)19-14-6-4-5-7-15(14)21-2/h4-7,9-11H,8H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeySXEWDUSEYKEHEG-NSHDSACASA-N
MW313.35 g/mol
LogP3.28
Rot. Bonds4

About (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

(2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 9453568) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID9453568
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2
InChIInChI=1S/C18H19NO4/c1-11-8-12-9-13(10-16(22-3)17(12)23-11)18(20)19-14-6-4-5-7-15(14)21-2/h4-7,9-11H,8H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeySXEWDUSEYKEHEG-NSHDSACASA-N
XLogP3.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 31154259
7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166192029
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
7-methoxy-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166179895
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2R)-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 38536880
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
(3R)-N-(2-methoxyphenyl)-3-(4-methylphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42100272
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758

Frequently Asked Questions

What is the IUPAC name of (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 9453568) is (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is COc1ccccc1NC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2.
What is the InChIKey of (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SXEWDUSEYKEHEG-NSHDSACASA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-8-12-9-13(10-16(22-3)17(12)23-11)18(20)19-14-6-4-5-7-15(14)21-2/h4-7,9-11H,8H2,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
(2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-methoxy-N-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 9453568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).