5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

C16H21NO4 — CID 51597039

IUPAC5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N(C)C[C@@H](C)OC)c(C)c2c1
InChIInChI=1S/C16H21NO4/c1-10(19-4)9-17(3)16(18)15-11(2)13-8-12(20-5)6-7-14(13)21-15/h6-8,10H,9H2,1-5H3/t10-/m1/s1
InChIKeyBAKIHBLHPNRNJE-SNVBAGLBSA-N
MW291.35 g/mol
LogP2.86
Rot. Bonds5

About 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 51597039) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID51597039
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N(C)C[C@@H](C)OC)c(C)c2c1
InChIInChI=1S/C16H21NO4/c1-10(19-4)9-17(3)16(18)15-11(2)13-8-12(20-5)6-7-14(13)21-15/h6-8,10H,9H2,1-5H3/t10-/m1/s1
InChIKeyBAKIHBLHPNRNJE-SNVBAGLBSA-N
XLogP2.86
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8820536
N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8960895
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N-[(3S)-1,1-dioxothiolan-3-yl]-5-methoxy-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 30826414
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 52895585
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270350
[1-(N-methylanilino)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 24686820
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
N-[(3R)-1,1-dioxothiolan-3-yl]-5-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 9344385
2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211405
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8856762
(3-methyl-4-propan-2-ylphenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7927177

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 51597039) is 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)N(C)C[C@@H](C)OC)c(C)c2c1.
What is the InChIKey of 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is BAKIHBLHPNRNJE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(19-4)9-17(3)16(18)15-11(2)13-8-12(20-5)6-7-14(13)21-15/h6-8,10H,9H2,1-5H3/t10-/m1/s1.
What are the key properties of 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).