3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine

C26H27N5O2 — CID 165024205

IUPAC3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine
SMILESCCn1ncc2c1-c1cnc(N)c(c1)OC(C)c1cc(C)ccc1-c1ncc(OC)cc1C2
InChIInChI=1S/C26H27N5O2/c1-5-31-25-18(13-30-31)9-17-10-20(32-4)14-28-24(17)21-7-6-15(2)8-22(21)16(3)33-23-11-19(25)12-29-26(23)27/h6-8,10-14,16H,5,9H2,1-4H3,(H2,27,29)
InChIKeyVWOLQFCIGZYTDV-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.97
Rot. Bonds2

About 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine

3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine (PubChem CID 165024205) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine.

Molecular Properties

Compound Name3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine
PubChem CID165024205
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine
SMILESCCn1ncc2c1-c1cnc(N)c(c1)OC(C)c1cc(C)ccc1-c1ncc(OC)cc1C2
InChIInChI=1S/C26H27N5O2/c1-5-31-25-18(13-30-31)9-17-10-20(32-4)14-28-24(17)21-7-6-15(2)8-22(21)16(3)33-23-11-19(25)12-29-26(23)27/h6-8,10-14,16H,5,9H2,1-4H3,(H2,27,29)
InChIKeyVWOLQFCIGZYTDV-UHFFFAOYSA-N
XLogP4.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine?
The IUPAC name of 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine (CID 165024205) is 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine.
What is the SMILES notation for 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine?
The canonical SMILES for 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine is CCn1ncc2c1-c1cnc(N)c(c1)OC(C)c1cc(C)ccc1-c1ncc(OC)cc1C2.
What is the InChIKey of 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine?
The InChIKey is VWOLQFCIGZYTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-5-31-25-18(13-30-31)9-17-10-20(32-4)14-28-24(17)21-7-6-15(2)8-22(21)16(3)33-23-11-19(25)12-29-26(23)27/h6-8,10-14,16H,5,9H2,1-4H3,(H2,27,29).
What are the key properties of 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine?
3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine has a molecular weight of 441.54 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-10-methoxy-17,20-dimethyl-21-oxa-3,4,12,24-tetrazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2(6),4,8(13),9,11,14(19),15,17,22,24-undecaen-23-amine is sourced from PubChem (CID 165024205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).