2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide

C18H22N2O3 — CID 119286174

IUPAC2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
SMILESCCOc1cc(NC(=O)C(N)Cc2ccccc2)ccc1OC
InChIInChI=1S/C18H22N2O3/c1-3-23-17-12-14(9-10-16(17)22-2)20-18(21)15(19)11-13-7-5-4-6-8-13/h4-10,12,15H,3,11,19H2,1-2H3,(H,20,21)
InChIKeyQPVRHBAOYBEGSU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.60
Rot. Bonds7

About 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide

2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 119286174) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
PubChem CID119286174
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
SMILESCCOc1cc(NC(=O)C(N)Cc2ccccc2)ccc1OC
InChIInChI=1S/C18H22N2O3/c1-3-23-17-12-14(9-10-16(17)22-2)20-18(21)15(19)11-13-7-5-4-6-8-13/h4-10,12,15H,3,11,19H2,1-2H3,(H,20,21)
InChIKeyQPVRHBAOYBEGSU-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-ethoxy-4-methoxyphenyl)propanamide
CID 119717688
2-amino-N-(4-benzylsulfanyl-3-methoxyphenyl)-3-phenylpropanamide;ethane
CID 156652623
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119286170
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide (CID 119286174) is 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide is CCOc1cc(NC(=O)C(N)Cc2ccccc2)ccc1OC.
What is the InChIKey of 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is QPVRHBAOYBEGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-17-12-14(9-10-16(17)22-2)20-18(21)15(19)11-13-7-5-4-6-8-13/h4-10,12,15H,3,11,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide?
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 119286174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).