N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide

C17H21ClN2O4 — CID 172889633

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
SMILESC=CC(=O)N1CCO[C@H](CC(=O)NCCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O4/c1-2-17(22)20-8-10-24-15(12-20)11-16(21)19-7-9-23-14-5-3-13(18)4-6-14/h2-6,15H,1,7-12H2,(H,19,21)/t15-/m1/s1
InChIKeySKNVYMOKTVXUOY-OAHLLOKOSA-N
MW352.82 g/mol
LogP1.64
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide (PubChem CID 172889633) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
PubChem CID172889633
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
SMILESC=CC(=O)N1CCO[C@H](CC(=O)NCCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O4/c1-2-17(22)20-8-10-24-15(12-20)11-16(21)19-7-9-23-14-5-3-13(18)4-6-14/h2-6,15H,1,7-12H2,(H,19,21)/t15-/m1/s1
InChIKeySKNVYMOKTVXUOY-OAHLLOKOSA-N
XLogP1.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-[(2S)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172888379
N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172889629
2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
CID 66419978
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8693249
N-[2-(4-chlorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970900
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
1-[(2S)-2-[2-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]morpholin-4-yl]prop-2-en-1-one
CID 172888383
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
(3S,4S)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120902

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide (CID 172889633) is N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide is C=CC(=O)N1CCO[C@H](CC(=O)NCCOc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide?
The InChIKey is SKNVYMOKTVXUOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-2-17(22)20-8-10-24-15(12-20)11-16(21)19-7-9-23-14-5-3-13(18)4-6-14/h2-6,15H,1,7-12H2,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide has a molecular weight of 352.82 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide is sourced from PubChem (CID 172889633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).