N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide

C20H28N2O3 — CID 155649138

IUPACN-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide
SMILESCCNC(=O)C(O)[C@@H]1C/C=C\CCCCCc2ccccc2C(=O)N1
InChIInChI=1S/C20H28N2O3/c1-2-21-20(25)18(23)17-14-8-6-4-3-5-7-11-15-12-9-10-13-16(15)19(24)22-17/h6,8-10,12-13,17-18,23H,2-5,7,11,14H2,1H3,(H,21,25)(H,22,24)/b8-6-/t17-,18?/m0/s1
InChIKeyMGHQFNVTKYLGJG-RHZZENSISA-N
MW344.46 g/mol
LogP2.34
Rot. Bonds3

About N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide

N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide (PubChem CID 155649138) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide
PubChem CID155649138
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide
SMILESCCNC(=O)C(O)[C@@H]1C/C=C\CCCCCc2ccccc2C(=O)N1
InChIInChI=1S/C20H28N2O3/c1-2-21-20(25)18(23)17-14-8-6-4-3-5-7-11-15-12-9-10-13-16(15)19(24)22-17/h6,8-10,12-13,17-18,23H,2-5,7,11,14H2,1H3,(H,21,25)(H,22,24)/b8-6-/t17-,18?/m0/s1
InChIKeyMGHQFNVTKYLGJG-RHZZENSISA-N
XLogP2.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide?
The IUPAC name of N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide (CID 155649138) is N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide is CCNC(=O)C(O)[C@@H]1C/C=C\CCCCCc2ccccc2C(=O)N1.
What is the InChIKey of N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide?
The InChIKey is MGHQFNVTKYLGJG-RHZZENSISA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-21-20(25)18(23)17-14-8-6-4-3-5-7-11-15-12-9-10-13-16(15)19(24)22-17/h6,8-10,12-13,17-18,23H,2-5,7,11,14H2,1H3,(H,21,25)(H,22,24)/b8-6-/t17-,18?/m0/s1.
What are the key properties of N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide?
N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-2-[(4S,6Z)-2-oxo-3-azabicyclo[11.4.0]heptadeca-1(17),6,13,15-tetraen-4-yl]acetamide is sourced from PubChem (CID 155649138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).