N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide

C14H19NO3 — CID 166937847

IUPACN-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide
SMILESC=C[C@H](COCC(=O)NC)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-13(10-17-11-14(16)15-2)18-9-12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3,(H,15,16)/t13-/m1/s1
InChIKeyWADDHYIZVNTLMX-CYBMUJFWSA-N
MW249.31 g/mol
LogP1.52
Rot. Bonds8

About N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide

N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide (PubChem CID 166937847) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide
PubChem CID166937847
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide
SMILESC=C[C@H](COCC(=O)NC)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-13(10-17-11-14(16)15-2)18-9-12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3,(H,15,16)/t13-/m1/s1
InChIKeyWADDHYIZVNTLMX-CYBMUJFWSA-N
XLogP1.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxyhex-5-en-1-ol
CID 25098808
N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide
CID 170261831
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
[(2R,3R)-4-hydroxy-1,3-bis(phenylmethoxy)hex-5-en-2-yl] acetate
CID 101392493
(3S,4S)-4-methyl-3-phenylmethoxyhex-5-enoic acid
CID 158311215
benzyl 1-phenylmethoxycarbonyloxybut-3-en-2-yl carbonate
CID 22891815
2-methoxy-N-methylacetamide;phenylmethanol
CID 162215011
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
(3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
CID 151048584
(2S,3E)-2-phenylmethoxyhexa-3,5-dien-1-ol
CID 101050867

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide?
The IUPAC name of N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide (CID 166937847) is N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide.
What is the SMILES notation for N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide?
The canonical SMILES for N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide is C=C[C@H](COCC(=O)NC)OCc1ccccc1.
What is the InChIKey of N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide?
The InChIKey is WADDHYIZVNTLMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-13(10-17-11-14(16)15-2)18-9-12-7-5-4-6-8-12/h3-8,13H,1,9-11H2,2H3,(H,15,16)/t13-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide?
N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-2-phenylmethoxybut-3-enoxy]acetamide is sourced from PubChem (CID 166937847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).