3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide

C15H23NO2 — CID 7372940

IUPAC3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCCOCCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-18-12-11-15(17)16-13(2)9-10-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyAVJVQWHCGZFJLP-CYBMUJFWSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds8

About 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide

3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 7372940) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID7372940
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCCOCCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-18-12-11-15(17)16-13(2)9-10-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyAVJVQWHCGZFJLP-CYBMUJFWSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(1,4-diphenylbutyl)-3-ethoxypropanamide
CID 56502280
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 7372940) is 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide is CCOCCC(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is AVJVQWHCGZFJLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-12-11-15(17)16-13(2)9-10-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide?
3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 7372940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).