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

C18H22N2O3 — CID 119419441

IUPACN-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-23-15-8-4-13(5-9-15)6-11-18(21)20-14-7-10-17(22-2)16(19)12-14/h4-5,7-10,12H,3,6,11,19H2,1-2H3,(H,20,21)
InChIKeyCMPQHICUPWMOTM-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.25
Rot. Bonds7

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

N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide (PubChem CID 119419441) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
PubChem CID119419441
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-23-15-8-4-13(5-9-15)6-11-18(21)20-14-7-10-17(22-2)16(19)12-14/h4-5,7-10,12H,3,6,11,19H2,1-2H3,(H,20,21)
InChIKeyCMPQHICUPWMOTM-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

3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
N-(3-amino-4-chlorophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866983

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide (CID 119419441) is N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2ccc(OC)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide?
The InChIKey is CMPQHICUPWMOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-15-8-4-13(5-9-15)6-11-18(21)20-14-7-10-17(22-2)16(19)12-14/h4-5,7-10,12H,3,6,11,19H2,1-2H3,(H,20,21).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide?
N-(3-amino-4-methoxyphenyl)-3-(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 N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 119419441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).