3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide

C22H27N3O5 — CID 98485288

IUPAC3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide
SMILESO=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C22H27N3O5/c26-18(23-13-16(17-2-1-9-30-17)24-7-10-29-11-8-24)5-6-25-21(27)19-14-3-4-15(12-14)20(19)22(25)28/h1-4,9,14-16,19-20H,5-8,10-13H2,(H,23,26)/t14-,15-,16+,19-,20+/m0/s1
InChIKeyGDVWWDYSSQZATR-RQOBALISSA-N
MW413.47 g/mol
LogP0.97
Rot. Bonds7

About 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide

3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 98485288) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide
PubChem CID98485288
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide
SMILESO=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C22H27N3O5/c26-18(23-13-16(17-2-1-9-30-17)24-7-10-29-11-8-24)5-6-25-21(27)19-14-3-4-15(12-14)20(19)22(25)28/h1-4,9,14-16,19-20H,5-8,10-13H2,(H,23,26)/t14-,15-,16+,19-,20+/m0/s1
InChIKeyGDVWWDYSSQZATR-RQOBALISSA-N
XLogP0.97
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide with MolForge

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Related Compounds

3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 11932186
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-morpholin-4-ylpropanamide
CID 98182258
4-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 110302200
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 17014506
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 26819379
2-(2-chlorophenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 17014204
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 93482584

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide (CID 98485288) is 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide is O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@H](c1ccco1)N1CCOCC1.
What is the InChIKey of 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is GDVWWDYSSQZATR-RQOBALISSA-N. The full InChI is InChI=1S/C22H27N3O5/c26-18(23-13-16(17-2-1-9-30-17)24-7-10-29-11-8-24)5-6-25-21(27)19-14-3-4-15(12-14)20(19)22(25)28/h1-4,9,14-16,19-20H,5-8,10-13H2,(H,23,26)/t14-,15-,16+,19-,20+/m0/s1.
What are the key properties of 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide?
3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 413.47 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 98485288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).