propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate

C18H19N3O5 — CID 44820836

IUPACpropan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate
SMILESCCc1cc2cc3c(cc2n2c(=O)n(CC(=O)OC(C)C)nc12)OCO3
InChIInChI=1S/C18H19N3O5/c1-4-11-5-12-6-14-15(25-9-24-14)7-13(12)21-17(11)19-20(18(21)23)8-16(22)26-10(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeySNOHANWNWOARNN-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.89
Rot. Bonds4

About propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate

propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate (PubChem CID 44820836) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate
PubChem CID44820836
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Namepropan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate
SMILESCCc1cc2cc3c(cc2n2c(=O)n(CC(=O)OC(C)C)nc12)OCO3
InChIInChI=1S/C18H19N3O5/c1-4-11-5-12-6-14-15(25-9-24-14)7-13(12)21-17(11)19-20(18(21)23)8-16(22)26-10(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeySNOHANWNWOARNN-UHFFFAOYSA-N
XLogP1.89
TPSA84.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate 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 propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate?
The IUPAC name of propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate (CID 44820836) is propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate is CCc1cc2cc3c(cc2n2c(=O)n(CC(=O)OC(C)C)nc12)OCO3.
What is the InChIKey of propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate?
The InChIKey is SNOHANWNWOARNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-4-11-5-12-6-14-15(25-9-24-14)7-13(12)21-17(11)19-20(18(21)23)8-16(22)26-10(2)3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate?
propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate has a molecular weight of 357.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(7-ethyl-3-oxo-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-4-yl)acetate is sourced from PubChem (CID 44820836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).