2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate

C22H28N6O4 — CID 122191619

IUPAC2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate
SMILESCCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)OCCOC)nc21
InChIInChI=1S/C22H28N6O4/c1-4-27-16(21(29)28(13-5-6-13)14-7-8-14)11-15-18-17(23-12-26(18)2)19(24-20(15)27)25-22(30)32-10-9-31-3/h11-14H,4-10H2,1-3H3,(H,24,25,30)
InChIKeyAMBVAEZRBLSCSU-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.90
Rot. Bonds8

About 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate

2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate (PubChem CID 122191619) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate
PubChem CID122191619
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate
SMILESCCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)OCCOC)nc21
InChIInChI=1S/C22H28N6O4/c1-4-27-16(21(29)28(13-5-6-13)14-7-8-14)11-15-18-17(23-12-26(18)2)19(24-20(15)27)25-22(30)32-10-9-31-3/h11-14H,4-10H2,1-3H3,(H,24,25,30)
InChIKeyAMBVAEZRBLSCSU-UHFFFAOYSA-N
XLogP2.90
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate?
The IUPAC name of 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate (CID 122191619) is 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate is CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)OCCOC)nc21.
What is the InChIKey of 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate?
The InChIKey is AMBVAEZRBLSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-4-27-16(21(29)28(13-5-6-13)14-7-8-14)11-15-18-17(23-12-26(18)2)19(24-20(15)27)25-22(30)32-10-9-31-3/h11-14H,4-10H2,1-3H3,(H,24,25,30).
What are the key properties of 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate?
2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate has a molecular weight of 440.50 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[11-(dicyclopropylcarbamoyl)-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-7-yl]carbamate is sourced from PubChem (CID 122191619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).