(15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide

C22H24N2O4 — CID 145437919

IUPAC(15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide
SMILESCON(C)C(=O)C1Cc2cccc(c2)/C=C\COCc2ccccc2C(=O)N1
InChIInChI=1S/C22H24N2O4/c1-24(27-2)22(26)20-14-17-8-5-7-16(13-17)9-6-12-28-15-18-10-3-4-11-19(18)21(25)23-20/h3-11,13,20H,12,14-15H2,1-2H3,(H,23,25)/b9-6-
InChIKeyHHXZVRWPWRXHGD-TWGQIWQCSA-N
MW380.44 g/mol
LogP2.59
Rot. Bonds2

About (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide

(15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide (PubChem CID 145437919) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide.

Molecular Properties

Compound Name(15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide
PubChem CID145437919
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide
SMILESCON(C)C(=O)C1Cc2cccc(c2)/C=C\COCc2ccccc2C(=O)N1
InChIInChI=1S/C22H24N2O4/c1-24(27-2)22(26)20-14-17-8-5-7-16(13-17)9-6-12-28-15-18-10-3-4-11-19(18)21(25)23-20/h3-11,13,20H,12,14-15H2,1-2H3,(H,23,25)/b9-6-
InChIKeyHHXZVRWPWRXHGD-TWGQIWQCSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide?
The IUPAC name of (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide (CID 145437919) is (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide.
What is the SMILES notation for (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide?
The canonical SMILES for (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide is CON(C)C(=O)C1Cc2cccc(c2)/C=C\COCc2ccccc2C(=O)N1.
What is the InChIKey of (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide?
The InChIKey is HHXZVRWPWRXHGD-TWGQIWQCSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-24(27-2)22(26)20-14-17-8-5-7-16(13-17)9-6-12-28-15-18-10-3-4-11-19(18)21(25)23-20/h3-11,13,20H,12,14-15H2,1-2H3,(H,23,25)/b9-6-.
What are the key properties of (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide?
(15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15E)-N-methoxy-N-methyl-5-oxo-13-oxa-4-azatricyclo[15.3.1.06,11]henicosa-1(21),6,8,10,15,17,19-heptaene-3-carboxamide is sourced from PubChem (CID 145437919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).