N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide

C20H24N2O5 — CID 145438051

IUPACN-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
SMILESO=C(NC1CC1)C(=O)C1C/C=C/COCCOCc2ccccc2C(=O)N1
InChIInChI=1S/C20H24N2O5/c23-18(20(25)21-15-8-9-15)17-7-3-4-10-26-11-12-27-13-14-5-1-2-6-16(14)19(24)22-17/h1-6,15,17H,7-13H2,(H,21,25)(H,22,24)/b4-3+
InChIKeyQPOLUVBAIDRECR-ONEGZZNKSA-N
MW372.42 g/mol
LogP1.13
Rot. Bonds3

About N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide

N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide (PubChem CID 145438051) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
PubChem CID145438051
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
SMILESO=C(NC1CC1)C(=O)C1C/C=C/COCCOCc2ccccc2C(=O)N1
InChIInChI=1S/C20H24N2O5/c23-18(20(25)21-15-8-9-15)17-7-3-4-10-26-11-12-27-13-14-5-1-2-6-16(14)19(24)22-17/h1-6,15,17H,7-13H2,(H,21,25)(H,22,24)/b4-3+
InChIKeyQPOLUVBAIDRECR-ONEGZZNKSA-N
XLogP1.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide (CID 145438051) is N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide is O=C(NC1CC1)C(=O)C1C/C=C/COCCOCc2ccccc2C(=O)N1.
What is the InChIKey of N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide?
The InChIKey is QPOLUVBAIDRECR-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H24N2O5/c23-18(20(25)21-15-8-9-15)17-7-3-4-10-26-11-12-27-13-14-5-1-2-6-16(14)19(24)22-17/h1-6,15,17H,7-13H2,(H,21,25)(H,22,24)/b4-3+.
What are the key properties of N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide?
N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide is sourced from PubChem (CID 145438051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).