N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine

C24H33N3O2 — CID 16677851

IUPACN-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1cncc(CN(CCN2CCOCC2)Cc2ccc(OC3CCCC3)cc2)c1
InChIInChI=1S/C24H33N3O2/c1-2-6-23(5-1)29-24-9-7-21(8-10-24)19-27(20-22-4-3-11-25-18-22)13-12-26-14-16-28-17-15-26/h3-4,7-11,18,23H,1-2,5-6,12-17,19-20H2
InChIKeyQHZFYQKBDNSXHN-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.74
Rot. Bonds9

About N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine

N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 16677851) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID16677851
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1cncc(CN(CCN2CCOCC2)Cc2ccc(OC3CCCC3)cc2)c1
InChIInChI=1S/C24H33N3O2/c1-2-6-23(5-1)29-24-9-7-21(8-10-24)19-27(20-22-4-3-11-25-18-22)13-12-26-14-16-28-17-15-26/h3-4,7-11,18,23H,1-2,5-6,12-17,19-20H2
InChIKeyQHZFYQKBDNSXHN-UHFFFAOYSA-N
XLogP3.74
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine (CID 16677851) is N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine is c1cncc(CN(CCN2CCOCC2)Cc2ccc(OC3CCCC3)cc2)c1.
What is the InChIKey of N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is QHZFYQKBDNSXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-6-23(5-1)29-24-9-7-21(8-10-24)19-27(20-22-4-3-11-25-18-22)13-12-26-14-16-28-17-15-26/h3-4,7-11,18,23H,1-2,5-6,12-17,19-20H2.
What are the key properties of N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 395.55 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxyphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 16677851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).