3-(ethylamino)-4-methoxy-3-phenylbutanamide

C13H20N2O2 — CID 103466305

IUPAC3-(ethylamino)-4-methoxy-3-phenylbutanamide
SMILESCCNC(COC)(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-15-13(10-17-2,9-12(14)16)11-7-5-4-6-8-11/h4-8,15H,3,9-10H2,1-2H3,(H2,14,16)
InChIKeyFUIZCNGFYNJYPN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.01
Rot. Bonds7

About 3-(ethylamino)-4-methoxy-3-phenylbutanamide

3-(ethylamino)-4-methoxy-3-phenylbutanamide (PubChem CID 103466305) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(ethylamino)-4-methoxy-3-phenylbutanamide.

Molecular Properties

Compound Name3-(ethylamino)-4-methoxy-3-phenylbutanamide
PubChem CID103466305
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(ethylamino)-4-methoxy-3-phenylbutanamide
SMILESCCNC(COC)(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-15-13(10-17-2,9-12(14)16)11-7-5-4-6-8-11/h4-8,15H,3,9-10H2,1-2H3,(H2,14,16)
InChIKeyFUIZCNGFYNJYPN-UHFFFAOYSA-N
XLogP1.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302
4-methoxy-3-(methylamino)-3-phenylbutanamide
CID 103466300
methyl 3-(ethylamino)-3-phenylhexanoate
CID 65235194
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
N-ethyl-3-phenylpentan-3-amine;octadecanamide;hydrochloride
CID 174665046
3-(ethylamino)-3-(2-fluorophenyl)pentanamide
CID 112680259
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
2-phenylpropan-2-yl carbamate;propane
CID 175117543
3,3-diphenylpentanediamide
CID 141227643
ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate
CID 114989601
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-methoxy-3-phenylbutanamide?
The IUPAC name of 3-(ethylamino)-4-methoxy-3-phenylbutanamide (CID 103466305) is 3-(ethylamino)-4-methoxy-3-phenylbutanamide.
What is the SMILES notation for 3-(ethylamino)-4-methoxy-3-phenylbutanamide?
The canonical SMILES for 3-(ethylamino)-4-methoxy-3-phenylbutanamide is CCNC(COC)(CC(N)=O)c1ccccc1.
What is the InChIKey of 3-(ethylamino)-4-methoxy-3-phenylbutanamide?
The InChIKey is FUIZCNGFYNJYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-13(10-17-2,9-12(14)16)11-7-5-4-6-8-11/h4-8,15H,3,9-10H2,1-2H3,(H2,14,16).
What are the key properties of 3-(ethylamino)-4-methoxy-3-phenylbutanamide?
3-(ethylamino)-4-methoxy-3-phenylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-methoxy-3-phenylbutanamide is sourced from PubChem (CID 103466305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).