13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol

C24H20N2O2 — CID 91222703

IUPAC13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol
SMILES[2H]n1cc2c(c3c(c4[nH]c5ccc(COCC)cc5c42)Cc2ccccc2-3)c1O
InChIInChI=1S/C24H20N2O2/c1-2-28-12-13-7-8-19-16(9-13)21-18-11-25-24(27)22(18)20-15-6-4-3-5-14(15)10-17(20)23(21)26-19/h3-9,11,25-27H,2,10,12H2,1H3/i/hD
InChIKeyHSSLGBXYLWSFNA-DYCDLGHISA-N
MW369.44 g/mol
LogP5.62
Rot. Bonds3

About 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol

13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol (PubChem CID 91222703) has the molecular formula C24H20N2O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol.

Molecular Properties

Compound Name13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol
PubChem CID91222703
Molecular FormulaC24H20N2O2
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol
SMILES[2H]n1cc2c(c3c(c4[nH]c5ccc(COCC)cc5c42)Cc2ccccc2-3)c1O
InChIInChI=1S/C24H20N2O2/c1-2-28-12-13-7-8-19-16(9-13)21-18-11-25-24(27)22(18)20-15-6-4-3-5-14(15)10-17(20)23(21)26-19/h3-9,11,25-27H,2,10,12H2,1H3/i/hD
InChIKeyHSSLGBXYLWSFNA-DYCDLGHISA-N
XLogP5.62
TPSA61.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol with MolForge

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Related Compounds

7-(ethoxymethyl)-23-(1-hydroxyethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol
CID 91475986
9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 158392465
3-azahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaene-12,14-dione
CID 58434746
2-[14-hydroxy-7-(hydroxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-3-yl]ethyl acetate
CID 91074342
3-[14-hydroxy-7-(propan-2-yloxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-3-yl]propyl 3-aminopropanoate
CID 90796201
6,12-dibromo-5,11-dihydroindeno[1,2-b]carbazole
CID 159885626
6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole
CID 159595401
7-(1-butoxyethyl)-3-(3-hydroxypropyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol
CID 91340073
18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
CID 144725899
ethane;2-ethyltriphenylene;9H-fluorene
CID 158463433
2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186
9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 145125960

Frequently Asked Questions

What is the IUPAC name of 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol?
The IUPAC name of 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol (CID 91222703) is 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol.
What is the SMILES notation for 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol?
The canonical SMILES for 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol is [2H]n1cc2c(c3c(c4[nH]c5ccc(COCC)cc5c42)Cc2ccccc2-3)c1O.
What is the InChIKey of 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol?
The InChIKey is HSSLGBXYLWSFNA-DYCDLGHISA-N. The full InChI is InChI=1S/C24H20N2O2/c1-2-28-12-13-7-8-19-16(9-13)21-18-11-25-24(27)22(18)20-15-6-4-3-5-14(15)10-17(20)23(21)26-19/h3-9,11,25-27H,2,10,12H2,1H3/i/hD.
What are the key properties of 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol?
13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol has a molecular weight of 369.44 g/mol, XLogP of 5.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-deuterio-7-(ethoxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11,14,17,19,21-decaen-14-ol is sourced from PubChem (CID 91222703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).