[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone

C23H23NO3 — CID 74227620

IUPAC[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
SMILESC#Cc1cccc(OCC2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CCO2)c1
InChIInChI=1S/C23H23NO3/c1-2-17-7-6-10-19(13-17)27-16-20-15-24(11-12-26-20)23(25)22-14-21(22)18-8-4-3-5-9-18/h1,3-10,13,20-22H,11-12,14-16H2/t20?,21-,22+/m0/s1
InChIKeyODOINOXJJIDOPD-JTGIGXABSA-N
MW361.44 g/mol
LogP3.08
Rot. Bonds5

About [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone

[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone (PubChem CID 74227620) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
PubChem CID74227620
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
SMILESC#Cc1cccc(OCC2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CCO2)c1
InChIInChI=1S/C23H23NO3/c1-2-17-7-6-10-19(13-17)27-16-20-15-24(11-12-26-20)23(25)22-14-21(22)18-8-4-3-5-9-18/h1,3-10,13,20-22H,11-12,14-16H2/t20?,21-,22+/m0/s1
InChIKeyODOINOXJJIDOPD-JTGIGXABSA-N
XLogP3.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone 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]-N-(2-phenylethyl)morpholine-4-carboxamide
CID 3667814
[2-[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbonyl]cyclohexyl]-(4-fluorophenyl)methanone
CID 4679304
2-[(2S)-4-[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125150604
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-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125134084
(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125153479
2-[4-[2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 119248827
2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124704965
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
CID 46059378
(2-methylcyclohexa-2,5-dien-1-yl)-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 46100133

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone?
The IUPAC name of [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone (CID 74227620) is [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone?
The canonical SMILES for [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone is C#Cc1cccc(OCC2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CCO2)c1.
What is the InChIKey of [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone?
The InChIKey is ODOINOXJJIDOPD-JTGIGXABSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-17-7-6-10-19(13-17)27-16-20-15-24(11-12-26-20)23(25)22-14-21(22)18-8-4-3-5-9-18/h1,3-10,13,20-22H,11-12,14-16H2/t20?,21-,22+/m0/s1.
What are the key properties of [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone?
[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone has a molecular weight of 361.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 74227620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).