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

C24H30N2O4 — CID 145437917

IUPAC2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
SMILESO=C(NC1CC1)C(=C1CCC1)C1C/C=C\COCCOCc2ccccc2C(=O)N1
InChIInChI=1S/C24H30N2O4/c27-23-20-9-2-1-6-18(20)16-30-15-14-29-13-4-3-10-21(26-23)22(17-7-5-8-17)24(28)25-19-11-12-19/h1-4,6,9,19,21H,5,7-8,10-16H2,(H,25,28)(H,26,27)/b4-3-
InChIKeyIXAIXRMCIODCQN-ARJAWSKDSA-N
MW410.51 g/mol
LogP3.04
Rot. Bonds3

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

2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide (PubChem CID 145437917) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide.

Molecular Properties

Compound Name2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
PubChem CID145437917
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
SMILESO=C(NC1CC1)C(=C1CCC1)C1C/C=C\COCCOCc2ccccc2C(=O)N1
InChIInChI=1S/C24H30N2O4/c27-23-20-9-2-1-6-18(20)16-30-15-14-29-13-4-3-10-21(26-23)22(17-7-5-8-17)24(28)25-19-11-12-19/h1-4,6,9,19,21H,5,7-8,10-16H2,(H,25,28)(H,26,27)/b4-3-
InChIKeyIXAIXRMCIODCQN-ARJAWSKDSA-N
XLogP3.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide?
The IUPAC name of 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide (CID 145437917) is 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-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 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide?
The canonical SMILES for 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-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(=C1CCC1)C1C/C=C\COCCOCc2ccccc2C(=O)N1.
What is the InChIKey of 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide?
The InChIKey is IXAIXRMCIODCQN-ARJAWSKDSA-N. The full InChI is InChI=1S/C24H30N2O4/c27-23-20-9-2-1-6-18(20)16-30-15-14-29-13-4-3-10-21(26-23)22(17-7-5-8-17)24(28)25-19-11-12-19/h1-4,6,9,19,21H,5,7-8,10-16H2,(H,25,28)(H,26,27)/b4-3-.
What are the key properties of 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide?
2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-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 410.51 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-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 145437917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).