2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide

C22H27ClN2O3 — CID 110081867

IUPAC2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide
SMILESNC(=O)CC1(COc2cccc(Cl)c2)CN(CCCc2ccccc2)CCO1
InChIInChI=1S/C22H27ClN2O3/c23-19-9-4-10-20(14-19)27-17-22(15-21(24)26)16-25(12-13-28-22)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,14H,5,8,11-13,15-17H2,(H2,24,26)
InChIKeyJCEZUEAZOCYAPE-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.30
Rot. Bonds9

About 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide

2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide (PubChem CID 110081867) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide
PubChem CID110081867
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide
SMILESNC(=O)CC1(COc2cccc(Cl)c2)CN(CCCc2ccccc2)CCO1
InChIInChI=1S/C22H27ClN2O3/c23-19-9-4-10-20(14-19)27-17-22(15-21(24)26)16-25(12-13-28-22)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,14H,5,8,11-13,15-17H2,(H2,24,26)
InChIKeyJCEZUEAZOCYAPE-UHFFFAOYSA-N
XLogP3.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2R)-4-benzyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]acetamide
CID 124960032
2-[2-[(3-chlorophenoxy)methyl]-4-[[1-(2-chlorophenyl)pyrrol-2-yl]methyl]morpholin-2-yl]acetamide
CID 110081896
2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(5-methyl-3-pyridinyl)methyl]morpholin-2-yl]acetamide
CID 124992315
2-[(2R)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947580
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(2,4-difluorophenyl)methyl]morpholin-2-yl]acetamide
CID 124947579
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]acetamide
CID 124962637
2-[(2S)-2-[(3-chlorophenoxy)methyl]-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]acetamide
CID 124995316
2-[2-[(3-chlorophenoxy)methyl]-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]acetamide
CID 110081882
2-[4-benzoyl-2-[(3-chlorophenoxy)methyl]morpholin-2-yl]-1-piperidin-1-ylethanone
CID 110081344
2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
CID 132772464
2-[4-[(4-chlorophenyl)methyl]-2-(methoxymethyl)morpholin-2-yl]acetamide
CID 132776542
1-[2-[(3-chlorophenoxy)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholin-4-yl]pentan-1-one
CID 110081323

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide?
The IUPAC name of 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide (CID 110081867) is 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide is NC(=O)CC1(COc2cccc(Cl)c2)CN(CCCc2ccccc2)CCO1.
What is the InChIKey of 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide?
The InChIKey is JCEZUEAZOCYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c23-19-9-4-10-20(14-19)27-17-22(15-21(24)26)16-25(12-13-28-22)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,14H,5,8,11-13,15-17H2,(H2,24,26).
What are the key properties of 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide?
2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide has a molecular weight of 402.92 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenoxy)methyl]-4-(3-phenylpropyl)morpholin-2-yl]acetamide is sourced from PubChem (CID 110081867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).