N-(2-methoxyethyl)-2-phenoxybutanamide

C13H19NO3 — CID 2932914

IUPACN-(2-methoxyethyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCCOC
InChIInChI=1S/C13H19NO3/c1-3-12(13(15)14-9-10-16-2)17-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyRTTSSSOSEKQUGS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.61
Rot. Bonds7

About N-(2-methoxyethyl)-2-phenoxybutanamide

N-(2-methoxyethyl)-2-phenoxybutanamide (PubChem CID 2932914) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-phenoxybutanamide
PubChem CID2932914
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-methoxyethyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NCCOC
InChIInChI=1S/C13H19NO3/c1-3-12(13(15)14-9-10-16-2)17-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15)
InChIKeyRTTSSSOSEKQUGS-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
methyl 2-(2-phenoxybutanoylamino)acetate
CID 4239659
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-phenoxybutanamide?
The IUPAC name of N-(2-methoxyethyl)-2-phenoxybutanamide (CID 2932914) is N-(2-methoxyethyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-phenoxybutanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-phenoxybutanamide?
The InChIKey is RTTSSSOSEKQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-12(13(15)14-9-10-16-2)17-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-2-phenoxybutanamide?
N-(2-methoxyethyl)-2-phenoxybutanamide has a molecular weight of 237.30 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-phenoxybutanamide is sourced from PubChem (CID 2932914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).