3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide

C12H18N2O3 — CID 119318009

IUPAC3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
SMILESCCOc1ccc(OC)cc1NC(=O)CCN
InChIInChI=1S/C12H18N2O3/c1-3-17-11-5-4-9(16-2)8-10(11)14-12(15)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyWHABVGKUWGAVHD-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.38
Rot. Bonds6

About 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide

3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide (PubChem CID 119318009) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
PubChem CID119318009
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
SMILESCCOc1ccc(OC)cc1NC(=O)CCN
InChIInChI=1S/C12H18N2O3/c1-3-17-11-5-4-9(16-2)8-10(11)14-12(15)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyWHABVGKUWGAVHD-UHFFFAOYSA-N
XLogP1.38
TPSA73.58 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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
CID 119300663
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307883
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
3-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 122079532
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide (CID 119318009) is 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide is CCOc1ccc(OC)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide?
The InChIKey is WHABVGKUWGAVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-11-5-4-9(16-2)8-10(11)14-12(15)6-7-13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide?
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide has a molecular weight of 238.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide is sourced from PubChem (CID 119318009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).