(Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine

C26H36N4O — CID 143464347

IUPAC(Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine
SMILESCN/C=C\C/C1=N\C(C)Nc2cccc(c2)CN(C)CCCCOCc2cccc1c2
InChIInChI=1S/C26H36N4O/c1-21-28-25-12-7-9-22(18-25)19-30(3)15-4-5-16-31-20-23-10-6-11-24(17-23)26(29-21)13-8-14-27-2/h6-12,14,17-18,21,27-28H,4-5,13,15-16,19-20H2,1-3H3/b14-8-,29-26+
InChIKeyLONOTVLYCQCGBC-GRDLFMLXSA-N
MW420.60 g/mol
LogP4.80
Rot. Bonds3

About (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine

(Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine (PubChem CID 143464347) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine
PubChem CID143464347
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name(Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine
SMILESCN/C=C\C/C1=N\C(C)Nc2cccc(c2)CN(C)CCCCOCc2cccc1c2
InChIInChI=1S/C26H36N4O/c1-21-28-25-12-7-9-22(18-25)19-30(3)15-4-5-16-31-20-23-10-6-11-24(17-23)26(29-21)13-8-14-27-2/h6-12,14,17-18,21,27-28H,4-5,13,15-16,19-20H2,1-3H3/b14-8-,29-26+
InChIKeyLONOTVLYCQCGBC-GRDLFMLXSA-N
XLogP4.80
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine with MolForge

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Related Compounds

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11,17,36-trimethyl-4,24,29-trioxa-1,11,14,17,36-pentazapentacyclo[12.12.12.15,9.119,23.130,34]hentetraconta-5,7,9(41),19(40),20,22,30,32,34(39)-nonaene
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N-[2-(4-fluorophenyl)ethyl]-15-methyl-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
CID 110072938
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(15-methyl-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-5-yl)methanone
CID 110072983

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine?
The IUPAC name of (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine (CID 143464347) is (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine is CN/C=C\C/C1=N\C(C)Nc2cccc(c2)CN(C)CCCCOCc2cccc1c2.
What is the InChIKey of (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine?
The InChIKey is LONOTVLYCQCGBC-GRDLFMLXSA-N. The full InChI is InChI=1S/C26H36N4O/c1-21-28-25-12-7-9-22(18-25)19-30(3)15-4-5-16-31-20-23-10-6-11-24(17-23)26(29-21)13-8-14-27-2/h6-12,14,17-18,21,27-28H,4-5,13,15-16,19-20H2,1-3H3/b14-8-,29-26+.
What are the key properties of (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine?
(Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine has a molecular weight of 420.60 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(4E)-3,17-dimethyl-12-oxa-2,4,17-triazatricyclo[17.3.1.16,10]tetracosa-1(22),4,6,8,10(24),19(23),20-heptaen-5-yl]-N-methylprop-1-en-1-amine is sourced from PubChem (CID 143464347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).