(1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione

C27H24N2O3 — CID 5319348

IUPAC(1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione
SMILESCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1C=Cc3c(c4ccccc4n(C)c3=O)[C@H]21
InChIInChI=1S/C27H24N2O3/c1-27(2)18-14-13-17-21(15-9-5-7-11-19(15)28(3)25(17)30)22(18)23-24(32-27)16-10-6-8-12-20(16)29(4)26(23)31/h5-14,18,22H,1-4H3/t18-,22-/m1/s1
InChIKeyDDSKJOGDKJUJHO-XMSQKQJNSA-N
MW424.50 g/mol
LogP4.34
Rot. Bonds

About (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione

(1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione (PubChem CID 5319348) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione.

Molecular Properties

Compound Name(1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione
PubChem CID5319348
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name(1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione
SMILESCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1C=Cc3c(c4ccccc4n(C)c3=O)[C@H]21
InChIInChI=1S/C27H24N2O3/c1-27(2)18-14-13-17-21(15-9-5-7-11-19(15)28(3)25(17)30)22(18)23-24(32-27)16-10-6-8-12-20(16)29(4)26(23)31/h5-14,18,22H,1-4H3/t18-,22-/m1/s1
InChIKeyDDSKJOGDKJUJHO-XMSQKQJNSA-N
XLogP4.34
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione with MolForge

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Related Compounds

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Benzosimuline
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Frequently Asked Questions

What is the IUPAC name of (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione?
The IUPAC name of (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione (CID 5319348) is (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione.
What is the SMILES notation for (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione?
The canonical SMILES for (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione is Cn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1C=Cc3c(c4ccccc4n(C)c3=O)[C@H]21.
What is the InChIKey of (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione?
The InChIKey is DDSKJOGDKJUJHO-XMSQKQJNSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-27(2)18-14-13-17-21(15-9-5-7-11-19(15)28(3)25(17)30)22(18)23-24(32-27)16-10-6-8-12-20(16)29(4)26(23)31/h5-14,18,22H,1-4H3/t18-,22-/m1/s1.
What are the key properties of (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione?
(1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione has a molecular weight of 424.50 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14R)-9,15,15,24-tetramethyl-16-oxa-9,24-diazahexacyclo[12.12.0.02,11.03,8.017,26.018,23]hexacosa-2(11),3,5,7,12,17(26),18,20,22-nonaene-10,25-dione is sourced from PubChem (CID 5319348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).