2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine

C27H32N2O4 — CID 24802974

IUPAC2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine
SMILESCOc1ccccc1OCCN(C)CC(COc1cccc2c1c1ccccc1n2C)OC
InChIInChI=1S/C27H32N2O4/c1-28(16-17-32-25-14-8-7-13-24(25)31-4)18-20(30-3)19-33-26-15-9-12-23-27(26)21-10-5-6-11-22(21)29(23)2/h5-15,20H,16-19H2,1-4H3
InChIKeyHEAZUQZTGPTWOT-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.74
Rot. Bonds11

About 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine

2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine (PubChem CID 24802974) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine
PubChem CID24802974
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine
SMILESCOc1ccccc1OCCN(C)CC(COc1cccc2c1c1ccccc1n2C)OC
InChIInChI=1S/C27H32N2O4/c1-28(16-17-32-25-14-8-7-13-24(25)31-4)18-20(30-3)19-33-26-15-9-12-23-27(26)21-10-5-6-11-22(21)29(23)2/h5-15,20H,16-19H2,1-4H3
InChIKeyHEAZUQZTGPTWOT-UHFFFAOYSA-N
XLogP4.74
TPSA45.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine?
The IUPAC name of 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine (CID 24802974) is 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine?
The canonical SMILES for 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine is COc1ccccc1OCCN(C)CC(COc1cccc2c1c1ccccc1n2C)OC.
What is the InChIKey of 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine?
The InChIKey is HEAZUQZTGPTWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-28(16-17-32-25-14-8-7-13-24(25)31-4)18-20(30-3)19-33-26-15-9-12-23-27(26)21-10-5-6-11-22(21)29(23)2/h5-15,20H,16-19H2,1-4H3.
What are the key properties of 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine?
2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine has a molecular weight of 448.56 g/mol, XLogP of 4.74, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 24802974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).