2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone

C18H26N2O2 — CID 47025116

IUPAC2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCc1ccc(CN(CC(=O)N2CCOC(C)C2)C2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-14-3-5-16(6-4-14)12-20(17-7-8-17)13-18(21)19-9-10-22-15(2)11-19/h3-6,15,17H,7-13H2,1-2H3
InChIKeyUNLKPMBSGMXPRI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.21
Rot. Bonds5

About 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone

2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 47025116) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID47025116
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCc1ccc(CN(CC(=O)N2CCOC(C)C2)C2CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-14-3-5-16(6-4-14)12-20(17-7-8-17)13-18(21)19-9-10-22-15(2)11-19/h3-6,15,17H,7-13H2,1-2H3
InChIKeyUNLKPMBSGMXPRI-UHFFFAOYSA-N
XLogP2.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone 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 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone (CID 47025116) is 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone is Cc1ccc(CN(CC(=O)N2CCOC(C)C2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is UNLKPMBSGMXPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-3-5-16(6-4-14)12-20(17-7-8-17)13-18(21)19-9-10-22-15(2)11-19/h3-6,15,17H,7-13H2,1-2H3.
What are the key properties of 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone?
2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 47025116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).