2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C20H26N2O3 — CID 51242371

IUPAC2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(NC(C)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-25-19-11-7-17(8-12-19)22-15(2)20(23)21-14-13-16-5-9-18(24-3)10-6-16/h5-12,15,22H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyCYECQVAWCZFDNS-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds9

About 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 51242371) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID51242371
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(NC(C)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-25-19-11-7-17(8-12-19)22-15(2)20(23)21-14-13-16-5-9-18(24-3)10-6-16/h5-12,15,22H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyCYECQVAWCZFDNS-UHFFFAOYSA-N
XLogP3.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 51248657
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
CID 41036741
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126397504
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 51242371) is 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is CCOc1ccc(NC(C)C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is CYECQVAWCZFDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-25-19-11-7-17(8-12-19)22-15(2)20(23)21-14-13-16-5-9-18(24-3)10-6-16/h5-12,15,22H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 51242371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).