(1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol

C23H24N2O3 — CID 10619541

IUPAC(1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol
SMILESOc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIInChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1
InChIKeyUUKFYSADJMUSTK-LMDOGRNLSA-N
MW376.46 g/mol
LogP2.49
Rot. Bonds2

About (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol

(1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol (PubChem CID 10619541) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol.

Molecular Properties

Compound Name(1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol
PubChem CID10619541
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol
SMILESOc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIInChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1
InChIKeyUUKFYSADJMUSTK-LMDOGRNLSA-N
XLogP2.49
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol?
The IUPAC name of (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol (CID 10619541) is (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol.
What is the SMILES notation for (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol?
The canonical SMILES for (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol is Oc1ccc2c3c1O[C@H]1c4ncccc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314.
What is the InChIKey of (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol?
The InChIKey is UUKFYSADJMUSTK-LMDOGRNLSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-16-6-5-14-10-17-23(27)11-15-2-1-8-24-19(15)21-22(23,18(14)20(16)28-21)7-9-25(17)12-13-3-4-13/h1-2,5-6,8,13,17,21,26-27H,3-4,7,9-12H2/t17-,21+,22+,23-/m1/s1.
What are the key properties of (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol?
(1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol has a molecular weight of 376.46 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,10R,18R)-19-(cyclopropylmethyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol is sourced from PubChem (CID 10619541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).