(10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

C19H26N2O3 — CID 92501328

IUPAC(10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCC[C@@H]1Cn2c(C(=O)NCCCOC(C)C)cc3cccc(c32)O1
InChIInChI=1S/C19H26N2O3/c1-4-15-12-21-16(19(22)20-9-6-10-23-13(2)3)11-14-7-5-8-17(24-15)18(14)21/h5,7-8,11,13,15H,4,6,9-10,12H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyCUKXJABCTDTIDB-OAHLLOKOSA-N
MW330.43 g/mol
LogP3.36
Rot. Bonds7

About (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

(10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (PubChem CID 92501328) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.

Molecular Properties

Compound Name(10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
PubChem CID92501328
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCC[C@@H]1Cn2c(C(=O)NCCCOC(C)C)cc3cccc(c32)O1
InChIInChI=1S/C19H26N2O3/c1-4-15-12-21-16(19(22)20-9-6-10-23-13(2)3)11-14-7-5-8-17(24-15)18(14)21/h5,7-8,11,13,15H,4,6,9-10,12H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyCUKXJABCTDTIDB-OAHLLOKOSA-N
XLogP3.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The IUPAC name of (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (CID 92501328) is (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.
What is the SMILES notation for (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The canonical SMILES for (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is CC[C@@H]1Cn2c(C(=O)NCCCOC(C)C)cc3cccc(c32)O1.
What is the InChIKey of (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The InChIKey is CUKXJABCTDTIDB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-4-15-12-21-16(19(22)20-9-6-10-23-13(2)3)11-14-7-5-8-17(24-15)18(14)21/h5,7-8,11,13,15H,4,6,9-10,12H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
(10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-ethyl-N-(3-propan-2-yloxypropyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is sourced from PubChem (CID 92501328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).