(19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine

C23H24N6O2 — CID 164966590

IUPAC(19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine
SMILESCCc1noc2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(C)ccc1-c1nn(C)cc1C2
InChIInChI=1S/C23H24N6O2/c1-5-17-20-18-10-25-22(24)23(26-18)30-13(3)16-8-12(2)6-7-15(16)21-14(11-29(4)27-21)9-19(20)31-28-17/h6-8,10-11,13H,5,9H2,1-4H3,(H2,24,25)/t13-/m1/s1
InChIKeyCOGMGOCCPQXCTE-CYBMUJFWSA-N
MW416.49 g/mol
LogP4.03
Rot. Bonds1

About (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine

(19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine (PubChem CID 164966590) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine.

Molecular Properties

Compound Name(19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine
PubChem CID164966590
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name(19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine
SMILESCCc1noc2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(C)ccc1-c1nn(C)cc1C2
InChIInChI=1S/C23H24N6O2/c1-5-17-20-18-10-25-22(24)23(26-18)30-13(3)16-8-12(2)6-7-15(16)21-14(11-29(4)27-21)9-19(20)31-28-17/h6-8,10-11,13H,5,9H2,1-4H3,(H2,24,25)/t13-/m1/s1
InChIKeyCOGMGOCCPQXCTE-CYBMUJFWSA-N
XLogP4.03
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine?
The IUPAC name of (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine (CID 164966590) is (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine.
What is the SMILES notation for (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine?
The canonical SMILES for (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine is CCc1noc2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(C)ccc1-c1nn(C)cc1C2.
What is the InChIKey of (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine?
The InChIKey is COGMGOCCPQXCTE-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-5-17-20-18-10-25-22(24)23(26-18)30-13(3)16-8-12(2)6-7-15(16)21-14(11-29(4)27-21)9-19(20)31-28-17/h6-8,10-11,13H,5,9H2,1-4H3,(H2,24,25)/t13-/m1/s1.
What are the key properties of (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine?
(19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine has a molecular weight of 416.49 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-3-ethyl-10,16,19-trimethyl-5,20-dioxa-4,10,11,23,25-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),3,8,11,13(18),14,16,21(25),22-decaen-22-amine is sourced from PubChem (CID 164966590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).