(NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine

C23H23NO6 — CID 71455642

IUPAC(NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine
SMILESCOc1cc2c(cc1OC)[C@@H]1/C(=N/O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4
InChIInChI=1S/C23H23NO6/c1-23(2)8-7-12-15(30-23)6-5-13-21(24-25)20-14-9-17(26-3)18(27-4)10-16(14)28-11-19(20)29-22(12)13/h5-10,19-20,25H,11H2,1-4H3/b24-21+/t19-,20+/m1/s1
InChIKeyFUYDUSPOCNFDMO-INFINQIGSA-N
MW409.44 g/mol
LogP4.00
Rot. Bonds2

About (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine

(NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine (PubChem CID 71455642) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine
PubChem CID71455642
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name(NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine
SMILESCOc1cc2c(cc1OC)[C@@H]1/C(=N/O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4
InChIInChI=1S/C23H23NO6/c1-23(2)8-7-12-15(30-23)6-5-13-21(24-25)20-14-9-17(26-3)18(27-4)10-16(14)28-11-19(20)29-22(12)13/h5-10,19-20,25H,11H2,1-4H3/b24-21+/t19-,20+/m1/s1
InChIKeyFUYDUSPOCNFDMO-INFINQIGSA-N
XLogP4.00
TPSA78.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine (CID 71455642) is (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine is COc1cc2c(cc1OC)[C@@H]1/C(=N/O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4.
What is the InChIKey of (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine?
The InChIKey is FUYDUSPOCNFDMO-INFINQIGSA-N. The full InChI is InChI=1S/C23H23NO6/c1-23(2)8-7-12-15(30-23)6-5-13-21(24-25)20-14-9-17(26-3)18(27-4)10-16(14)28-11-19(20)29-22(12)13/h5-10,19-20,25H,11H2,1-4H3/b24-21+/t19-,20+/m1/s1.
What are the key properties of (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine?
(NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine has a molecular weight of 409.44 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1S,14R)-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-ylidene]hydroxylamine is sourced from PubChem (CID 71455642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).