2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide

C21H27N3O4 — CID 97328215

IUPAC2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(CN1CC[C@H]2CCOC(=O)[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H27N3O4/c25-18(13-24-11-9-14-10-12-28-21(27)19(14)24)23-17-8-4-3-7-16(17)20(26)22-15-5-1-2-6-15/h3-4,7-8,14-15,19H,1-2,5-6,9-13H2,(H,22,26)(H,23,25)/t14-,19+/m0/s1
InChIKeyNMZJOGAGWIUSQQ-IFXJQAMLSA-N
MW385.46 g/mol
LogP1.93
Rot. Bonds5

About 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide

2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 97328215) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide
PubChem CID97328215
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(CN1CC[C@H]2CCOC(=O)[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H27N3O4/c25-18(13-24-11-9-14-10-12-28-21(27)19(14)24)23-17-8-4-3-7-16(17)20(26)22-15-5-1-2-6-15/h3-4,7-8,14-15,19H,1-2,5-6,9-13H2,(H,22,26)(H,23,25)/t14-,19+/m0/s1
InChIKeyNMZJOGAGWIUSQQ-IFXJQAMLSA-N
XLogP1.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide with MolForge

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Related Compounds

2-[[2-[(3aR,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 100904411
2-[[2-[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-phenylbenzamide
CID 100904417
N-cyclopentyl-2-[[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
CID 9002644
N-cyclopentyl-2-[[2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]benzamide
CID 95267762
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 9166376
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
methyl 2-[(2R)-1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidin-2-yl]acetate
CID 51965662
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide (CID 97328215) is 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide is O=C(CN1CC[C@H]2CCOC(=O)[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is NMZJOGAGWIUSQQ-IFXJQAMLSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-18(13-24-11-9-14-10-12-28-21(27)19(14)24)23-17-8-4-3-7-16(17)20(26)22-15-5-1-2-6-15/h3-4,7-8,14-15,19H,1-2,5-6,9-13H2,(H,22,26)(H,23,25)/t14-,19+/m0/s1.
What are the key properties of 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 385.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3aS,7aR)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 97328215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).