3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide

C12H18N2O3 — CID 170875743

IUPAC3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(C(N)CC(N)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-3-17-10-5-4-8(6-11(10)16-2)9(13)7-12(14)15/h4-6,9H,3,7,13H2,1-2H3,(H2,14,15)
InChIKeyXXUOSHLUFPWMPA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.97
Rot. Bonds6

About 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide

3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide (PubChem CID 170875743) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
PubChem CID170875743
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
SMILESCCOc1ccc(C(N)CC(N)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-3-17-10-5-4-8(6-11(10)16-2)9(13)7-12(14)15/h4-6,9H,3,7,13H2,1-2H3,(H2,14,15)
InChIKeyXXUOSHLUFPWMPA-UHFFFAOYSA-N
XLogP0.97
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide (CID 170875743) is 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide is CCOc1ccc(C(N)CC(N)=O)cc1OC.
What is the InChIKey of 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide?
The InChIKey is XXUOSHLUFPWMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-10-5-4-8(6-11(10)16-2)9(13)7-12(14)15/h4-6,9H,3,7,13H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide?
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide is sourced from PubChem (CID 170875743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).