(2S)-N-ethoxy-2-phenylbutanamide

C12H17NO2 — CID 94018307

IUPAC(2S)-N-ethoxy-2-phenylbutanamide
SMILESCCONC(=O)[C@@H](CC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-11(12(14)13-15-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyUBHPYGXIWXDHOK-NSHDSACASA-N
MW207.27 g/mol
LogP2.25
Rot. Bonds5

About (2S)-N-ethoxy-2-phenylbutanamide

(2S)-N-ethoxy-2-phenylbutanamide (PubChem CID 94018307) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S)-N-ethoxy-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-ethoxy-2-phenylbutanamide
PubChem CID94018307
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S)-N-ethoxy-2-phenylbutanamide
SMILESCCONC(=O)[C@@H](CC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-11(12(14)13-15-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyUBHPYGXIWXDHOK-NSHDSACASA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-3-hydroxy-2-phenylpropanamide
CID 121218721
ethyl (2-phenylbutanoylamino) carbonate
CID 177376021
(2R)-2-amino-N-ethoxy-2-phenylacetamide
CID 64974581
(2-phenylbutanoylamino)urea
CID 63946462
ethyl 2-phenylbutanoate;sulfane
CID 174662373
(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide
CID 57147661
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
amino 2-phenylbutanoate
CID 21430295
(2R)-2-phenylbutanamide
CID 139147476
N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519
aminomethyl 2-phenylbutanoate
CID 175260963
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethoxy-2-phenylbutanamide?
The IUPAC name of (2S)-N-ethoxy-2-phenylbutanamide (CID 94018307) is (2S)-N-ethoxy-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-ethoxy-2-phenylbutanamide?
The canonical SMILES for (2S)-N-ethoxy-2-phenylbutanamide is CCONC(=O)[C@@H](CC)c1ccccc1.
What is the InChIKey of (2S)-N-ethoxy-2-phenylbutanamide?
The InChIKey is UBHPYGXIWXDHOK-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-11(12(14)13-15-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (2S)-N-ethoxy-2-phenylbutanamide?
(2S)-N-ethoxy-2-phenylbutanamide has a molecular weight of 207.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethoxy-2-phenylbutanamide is sourced from PubChem (CID 94018307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).