14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine

C26H15NO2 — CID 175749533

IUPAC14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine
SMILESNc1cc2oc3cc4oc5ccc6ccccc6c5c4cc3c2c2ccccc12
InChIInChI=1S/C26H15NO2/c27-20-12-24-26(17-8-4-3-7-16(17)20)19-11-18-22(13-23(19)29-24)28-21-10-9-14-5-1-2-6-15(14)25(18)21/h1-13H,27H2
InChIKeyYCZFCPYXEXJZDY-UHFFFAOYSA-N
MW373.41 g/mol
LogP7.37
Rot. Bonds

About 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine

14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine (PubChem CID 175749533) has the molecular formula C26H15NO2 and a molecular weight of 373.41 g/mol. Its IUPAC name is 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine.

Molecular Properties

Compound Name14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine
PubChem CID175749533
Molecular FormulaC26H15NO2
Molecular Weight373.41 g/mol
Exact Mass373.11
IUPAC Name14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine
SMILESNc1cc2oc3cc4oc5ccc6ccccc6c5c4cc3c2c2ccccc12
InChIInChI=1S/C26H15NO2/c27-20-12-24-26(17-8-4-3-7-16(17)20)19-11-18-22(13-23(19)29-24)28-21-10-9-14-5-1-2-6-15(14)25(18)21/h1-13H,27H2
InChIKeyYCZFCPYXEXJZDY-UHFFFAOYSA-N
XLogP7.37
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine?
The IUPAC name of 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine (CID 175749533) is 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine.
What is the SMILES notation for 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine?
The canonical SMILES for 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine is Nc1cc2oc3cc4oc5ccc6ccccc6c5c4cc3c2c2ccccc12.
What is the InChIKey of 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine?
The InChIKey is YCZFCPYXEXJZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO2/c27-20-12-24-26(17-8-4-3-7-16(17)20)19-11-18-22(13-23(19)29-24)28-21-10-9-14-5-1-2-6-15(14)25(18)21/h1-13H,27H2.
What are the key properties of 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine?
14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine has a molecular weight of 373.41 g/mol, XLogP of 7.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine is sourced from PubChem (CID 175749533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).