5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide

C21H26N2O6 — CID 90895144

IUPAC5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(CC(C)C)C(=O)N[C@@H]3C(=O)CO[C@@H]3C)cc2c1
InChIInChI=1S/C21H26N2O6/c1-11(2)7-15(20(25)23-19-12(3)28-10-16(19)24)22-21(26)18-9-13-8-14(27-4)5-6-17(13)29-18/h5-6,8-9,11-12,15,19H,7,10H2,1-4H3,(H,22,26)(H,23,25)/t12-,15?,19+/m1/s1
InChIKeyDGKQJNPKLZLPAF-SHAVTQDWSA-N
MW402.45 g/mol
LogP2.06
Rot. Bonds7

About 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide

5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 90895144) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID90895144
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(CC(C)C)C(=O)N[C@@H]3C(=O)CO[C@@H]3C)cc2c1
InChIInChI=1S/C21H26N2O6/c1-11(2)7-15(20(25)23-19-12(3)28-10-16(19)24)22-21(26)18-9-13-8-14(27-4)5-6-17(13)29-18/h5-6,8-9,11-12,15,19H,7,10H2,1-4H3,(H,22,26)(H,23,25)/t12-,15?,19+/m1/s1
InChIKeyDGKQJNPKLZLPAF-SHAVTQDWSA-N
XLogP2.06
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

5-methoxy-N-[4-methyl-1-[(6-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 21036424
5-methoxy-N-[(2S)-1-[[(4S)-1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045863
2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide
CID 90757931
N-[(2S)-1-[[(4S)-1-(3-chlorophenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methoxy-1-benzofuran-2-carboxamide
CID 59045836
5-methoxy-N-[(2R)-4-methyl-1-oxo-1-[[(4R)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045843
5-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(4S)-3-oxo-1-(1,3-thiazol-2-ylsulfonyl)azepan-4-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045867
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852
N-[1-[[(3S)-3-hydroxy-1-(1-oxidopyridin-1-ium-2-yl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methoxy-1-benzofuran-2-carboxamide
CID 54394089
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 91442080
N-[(2S)-1-[[(4S)-1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045797
N-[1-[[(3S)-3-hydroxy-1-(3-methoxyphenyl)sulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 56981089
N-[1-[[(4S)-1-(benzenesulfonyl)-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-2-carboxamide
CID 90894732

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide (CID 90895144) is 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC(CC(C)C)C(=O)N[C@@H]3C(=O)CO[C@@H]3C)cc2c1.
What is the InChIKey of 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is DGKQJNPKLZLPAF-SHAVTQDWSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-11(2)7-15(20(25)23-19-12(3)28-10-16(19)24)22-21(26)18-9-13-8-14(27-4)5-6-17(13)29-18/h5-6,8-9,11-12,15,19H,7,10H2,1-4H3,(H,22,26)(H,23,25)/t12-,15?,19+/m1/s1.
What are the key properties of 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide?
5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 90895144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).