3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide

C18H22N2O3 — CID 119680037

IUPAC3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CC(C)N)cc2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-22-15-8-10-17(11-9-15)23-16-6-4-14(5-7-16)20-18(21)12-13(2)19/h4-11,13H,3,12,19H2,1-2H3,(H,20,21)
InChIKeyKIEYDRPPYLLLKQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.55
Rot. Bonds7

About 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide

3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide (PubChem CID 119680037) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
PubChem CID119680037
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CC(C)N)cc2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-22-15-8-10-17(11-9-15)23-16-6-4-14(5-7-16)20-18(21)12-13(2)19/h4-11,13H,3,12,19H2,1-2H3,(H,20,21)
InChIKeyKIEYDRPPYLLLKQ-UHFFFAOYSA-N
XLogP3.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
CID 120561379
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 81425570
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide (CID 119680037) is 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide is CCOc1ccc(Oc2ccc(NC(=O)CC(C)N)cc2)cc1.
What is the InChIKey of 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide?
The InChIKey is KIEYDRPPYLLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-22-15-8-10-17(11-9-15)23-16-6-4-14(5-7-16)20-18(21)12-13(2)19/h4-11,13H,3,12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide?
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide is sourced from PubChem (CID 119680037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).