N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine

C25H25N3O — CID 13180188

IUPACN,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine
SMILESCN(C)CCN1c2ccccc2C2ON=C(c3ccccc3)C2c2ccccc21
InChIInChI=1S/C25H25N3O/c1-27(2)16-17-28-21-14-8-6-12-19(21)23-24(18-10-4-3-5-11-18)26-29-25(23)20-13-7-9-15-22(20)28/h3-15,23,25H,16-17H2,1-2H3
InChIKeyGKJFUEIAWMRNEL-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.96
Rot. Bonds4

About N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine

N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine (PubChem CID 13180188) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine
PubChem CID13180188
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine
SMILESCN(C)CCN1c2ccccc2C2ON=C(c3ccccc3)C2c2ccccc21
InChIInChI=1S/C25H25N3O/c1-27(2)16-17-28-21-14-8-6-12-19(21)23-24(18-10-4-3-5-11-18)26-29-25(23)20-13-7-9-15-22(20)28/h3-15,23,25H,16-17H2,1-2H3
InChIKeyGKJFUEIAWMRNEL-UHFFFAOYSA-N
XLogP4.96
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine (CID 13180188) is N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine is CN(C)CCN1c2ccccc2C2ON=C(c3ccccc3)C2c2ccccc21.
What is the InChIKey of N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine?
The InChIKey is GKJFUEIAWMRNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-27(2)16-17-28-21-14-8-6-12-19(21)23-24(18-10-4-3-5-11-18)26-29-25(23)20-13-7-9-15-22(20)28/h3-15,23,25H,16-17H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine?
N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine has a molecular weight of 383.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl)ethanamine is sourced from PubChem (CID 13180188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).