[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C24H29NO3 — CID 4875497

IUPAC[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(CC1CC2CCC1C2)Oc1ccc2ccccc2c1CN1CCOCC1
InChIInChI=1S/C24H29NO3/c26-24(15-20-14-17-5-6-19(20)13-17)28-23-8-7-18-3-1-2-4-21(18)22(23)16-25-9-11-27-12-10-25/h1-4,7-8,17,19-20H,5-6,9-16H2
InChIKeyQNUVQDFNPDAZQR-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.40
Rot. Bonds5

About [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 4875497) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID4875497
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESO=C(CC1CC2CCC1C2)Oc1ccc2ccccc2c1CN1CCOCC1
InChIInChI=1S/C24H29NO3/c26-24(15-20-14-17-5-6-19(20)13-17)28-23-8-7-18-3-1-2-4-21(18)22(23)16-25-9-11-27-12-10-25/h1-4,7-8,17,19-20H,5-6,9-16H2
InChIKeyQNUVQDFNPDAZQR-UHFFFAOYSA-N
XLogP4.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 4875497) is [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is O=C(CC1CC2CCC1C2)Oc1ccc2ccccc2c1CN1CCOCC1.
What is the InChIKey of [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is QNUVQDFNPDAZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-24(15-20-14-17-5-6-19(20)13-17)28-23-8-7-18-3-1-2-4-21(18)22(23)16-25-9-11-27-12-10-25/h1-4,7-8,17,19-20H,5-6,9-16H2.
What are the key properties of [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 379.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 4875497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).