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

C17H22N2O3 — CID 172889629

IUPACN-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
SMILESC=CC(=O)N1CCO[C@H](CC(=O)Nc2ccc(CC)cc2)C1
InChIInChI=1S/C17H22N2O3/c1-3-13-5-7-14(8-6-13)18-16(20)11-15-12-19(9-10-22-15)17(21)4-2/h4-8,15H,2-3,9-12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyGPHSAYMGLRYAJO-OAHLLOKOSA-N
MW302.37 g/mol
LogP1.99
Rot. Bonds5

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

N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide (PubChem CID 172889629) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
PubChem CID172889629
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
SMILESC=CC(=O)N1CCO[C@H](CC(=O)Nc2ccc(CC)cc2)C1
InChIInChI=1S/C17H22N2O3/c1-3-13-5-7-14(8-6-13)18-16(20)11-15-12-19(9-10-22-15)17(21)4-2/h4-8,15H,2-3,9-12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyGPHSAYMGLRYAJO-OAHLLOKOSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
CID 66419978
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172889633
N-[2-(2-chloro-6-fluorophenyl)ethyl]-2-[(2S)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172888379
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
N-(4-ethylphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944755
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
CID 139015420
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide (CID 172889629) is N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide is C=CC(=O)N1CCO[C@H](CC(=O)Nc2ccc(CC)cc2)C1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide?
The InChIKey is GPHSAYMGLRYAJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-13-5-7-14(8-6-13)18-16(20)11-15-12-19(9-10-22-15)17(21)4-2/h4-8,15H,2-3,9-12H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide?
N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide is sourced from PubChem (CID 172889629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).