3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide

C18H22N2O3 — CID 39456651

IUPAC3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-23-15-8-6-14(7-9-15)20-18(21)11-5-13-4-10-17(22-2)16(19)12-13/h4,6-10,12H,3,5,11,19H2,1-2H3,(H,20,21)
InChIKeyULMKZCZRJDFBJB-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.25
Rot. Bonds7

About 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide

3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide (PubChem CID 39456651) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
PubChem CID39456651
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-23-15-8-6-14(7-9-15)20-18(21)11-5-13-4-10-17(22-2)16(19)12-13/h4,6-10,12H,3,5,11,19H2,1-2H3,(H,20,21)
InChIKeyULMKZCZRJDFBJB-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide
CID 19221776
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221846
4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonic acid
CID 4143684

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide (CID 39456651) is 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCc2ccc(OC)c(N)c2)cc1.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is ULMKZCZRJDFBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-15-8-6-14(7-9-15)20-18(21)11-5-13-4-10-17(22-2)16(19)12-13/h4,6-10,12H,3,5,11,19H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide?
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 39456651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).