2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide

C22H24N2O3 — CID 3667814

IUPAC2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
SMILESC#Cc1cccc(OCC2CN(C(=O)NCCc3ccccc3)CCO2)c1
InChIInChI=1S/C22H24N2O3/c1-2-18-9-6-10-20(15-18)27-17-21-16-24(13-14-26-21)22(25)23-12-11-19-7-4-3-5-8-19/h1,3-10,15,21H,11-14,16-17H2,(H,23,25)
InChIKeyGCROOWKQLJVJFG-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.70
Rot. Bonds6

About 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide

2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide (PubChem CID 3667814) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
PubChem CID3667814
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
SMILESC#Cc1cccc(OCC2CN(C(=O)NCCc3ccccc3)CCO2)c1
InChIInChI=1S/C22H24N2O3/c1-2-18-9-6-10-20(15-18)27-17-21-16-24(13-14-26-21)22(25)23-12-11-19-7-4-3-5-8-19/h1,3-10,15,21H,11-14,16-17H2,(H,23,25)
InChIKeyGCROOWKQLJVJFG-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide 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-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 74227620
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 3800706
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3795731
[2-[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
CID 4679304
2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
CID 46059378
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
1-[2-(3-phenylmethoxyphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122008421
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5103891
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide (CID 3667814) is 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide is C#Cc1cccc(OCC2CN(C(=O)NCCc3ccccc3)CCO2)c1.
What is the InChIKey of 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is GCROOWKQLJVJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-18-9-6-10-20(15-18)27-17-21-16-24(13-14-26-21)22(25)23-12-11-19-7-4-3-5-8-19/h1,3-10,15,21H,11-14,16-17H2,(H,23,25).
What are the key properties of 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 3667814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).