N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide

C20H24N2O4 — CID 50877556

IUPACN-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
SMILESO=C(CCCN1C(=O)C2C3CC4C(OC1C42)C3O)NCc1ccccc1
InChIInChI=1S/C20H24N2O4/c23-14(21-10-11-5-2-1-3-6-11)7-4-8-22-19(25)15-12-9-13-16(15)20(22)26-18(13)17(12)24/h1-3,5-6,12-13,15-18,20,24H,4,7-10H2,(H,21,23)
InChIKeyGBQICDBDWLMFIZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.89
Rot. Bonds6

About N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide

N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide (PubChem CID 50877556) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
PubChem CID50877556
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
SMILESO=C(CCCN1C(=O)C2C3CC4C(OC1C42)C3O)NCc1ccccc1
InChIInChI=1S/C20H24N2O4/c23-14(21-10-11-5-2-1-3-6-11)7-4-8-22-19(25)15-12-9-13-16(15)20(22)26-18(13)17(12)24/h1-3,5-6,12-13,15-18,20,24H,4,7-10H2,(H,21,23)
InChIKeyGBQICDBDWLMFIZ-UHFFFAOYSA-N
XLogP0.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859585
9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859586
N-benzyl-3-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 98285428
N,N-diethyl-2-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)acetamide
CID 50877620
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-benzyl-2-[3-(4-fluorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetamide
CID 78418497
N-benzyl-3-(2,4-dioxoimidazolidin-1-yl)propanamide;hydrate
CID 141332707
N-benzyl-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 23314733
N-benzyl-6-oxohexanamide
CID 172715262
N-benzylundecanamide
CID 5078198
N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide
CID 7241797
N-benzyl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide
CID 3509459

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide?
The IUPAC name of N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide (CID 50877556) is N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide.
What is the SMILES notation for N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide?
The canonical SMILES for N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide is O=C(CCCN1C(=O)C2C3CC4C(OC1C42)C3O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide?
The InChIKey is GBQICDBDWLMFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-14(21-10-11-5-2-1-3-6-11)7-4-8-22-19(25)15-12-9-13-16(15)20(22)26-18(13)17(12)24/h1-3,5-6,12-13,15-18,20,24H,4,7-10H2,(H,21,23).
What are the key properties of N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide?
N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide has a molecular weight of 356.42 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide is sourced from PubChem (CID 50877556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).