[(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid

C18H27N3O5 — CID 155163426

IUPAC[(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid
SMILES[2H]C([2H])([2H])N1CC(=O)OC(C2CC2)CCC/C=C/CCCC(=O)NC1=NC(=O)O
InChIInChI=1S/C18H27N3O5/c1-21-12-16(23)26-14(13-10-11-13)8-6-4-2-3-5-7-9-15(22)19-17(21)20-18(24)25/h2-3,13-14H,4-12H2,1H3,(H,24,25)(H,19,20,22)/b3-2+/i1D3
InChIKeyIBQOCXPTJXENFA-SMQGVBCRSA-N
MW368.45 g/mol
LogP2.30
Rot. Bonds2

About [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid

[(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid (PubChem CID 155163426) has the molecular formula C18H27N3O5 and a molecular weight of 368.45 g/mol. Its IUPAC name is [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid.

Molecular Properties

Compound Name[(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid
PubChem CID155163426
Molecular FormulaC18H27N3O5
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name[(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid
SMILES[2H]C([2H])([2H])N1CC(=O)OC(C2CC2)CCC/C=C/CCCC(=O)NC1=NC(=O)O
InChIInChI=1S/C18H27N3O5/c1-21-12-16(23)26-14(13-10-11-13)8-6-4-2-3-5-7-9-15(22)19-17(21)20-18(24)25/h2-3,13-14H,4-12H2,1H3,(H,24,25)(H,19,20,22)/b3-2+/i1D3
InChIKeyIBQOCXPTJXENFA-SMQGVBCRSA-N
XLogP2.30
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid 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 [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid?
The IUPAC name of [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid (CID 155163426) is [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid.
What is the SMILES notation for [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid?
The canonical SMILES for [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid is [2H]C([2H])([2H])N1CC(=O)OC(C2CC2)CCC/C=C/CCCC(=O)NC1=NC(=O)O.
What is the InChIKey of [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid?
The InChIKey is IBQOCXPTJXENFA-SMQGVBCRSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-21-12-16(23)26-14(13-10-11-13)8-6-4-2-3-5-7-9-15(22)19-17(21)20-18(24)25/h2-3,13-14H,4-12H2,1H3,(H,24,25)(H,19,20,22)/b3-2+/i1D3.
What are the key properties of [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid?
[(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid has a molecular weight of 368.45 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(11E)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamic acid is sourced from PubChem (CID 155163426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).