N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide

C20H27N3O5 — CID 138048893

IUPACN-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide
SMILESCOCc1ccc(C(=O)N2CCC3(NC(=O)C(=O)NCC4CC4)CCCC23)o1
InChIInChI=1S/C20H27N3O5/c1-27-12-14-6-7-15(28-14)19(26)23-10-9-20(8-2-3-16(20)23)22-18(25)17(24)21-11-13-4-5-13/h6-7,13,16H,2-5,8-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHMCFRQGOVGEEGC-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.21
Rot. Bonds6

About N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide

N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide (PubChem CID 138048893) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide
PubChem CID138048893
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide
SMILESCOCc1ccc(C(=O)N2CCC3(NC(=O)C(=O)NCC4CC4)CCCC23)o1
InChIInChI=1S/C20H27N3O5/c1-27-12-14-6-7-15(28-14)19(26)23-10-9-20(8-2-3-16(20)23)22-18(25)17(24)21-11-13-4-5-13/h6-7,13,16H,2-5,8-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHMCFRQGOVGEEGC-UHFFFAOYSA-N
XLogP1.21
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107176714
6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175089
(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467286
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78840753
[5-(methoxymethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488456
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone;hydrochloride
CID 120658032
[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 72871979
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
[5-(methoxymethyl)furan-2-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 26333907

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide?
The IUPAC name of N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide (CID 138048893) is N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide is COCc1ccc(C(=O)N2CCC3(NC(=O)C(=O)NCC4CC4)CCCC23)o1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide?
The InChIKey is HMCFRQGOVGEEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-27-12-14-6-7-15(28-14)19(26)23-10-9-20(8-2-3-16(20)23)22-18(25)17(24)21-11-13-4-5-13/h6-7,13,16H,2-5,8-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide?
N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide has a molecular weight of 389.45 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-[1-[5-(methoxymethyl)furan-2-carbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]oxamide is sourced from PubChem (CID 138048893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).