2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide

C20H26N2O3 — CID 110900380

IUPAC2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCCOc1ccc(NC(C)C(=O)NCc2ccccc2C)cc1CO
InChIInChI=1S/C20H26N2O3/c1-4-25-19-10-9-18(11-17(19)13-23)22-15(3)20(24)21-12-16-8-6-5-7-14(16)2/h5-11,15,22-23H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyQKWWDTKKWNDHOM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds8

About 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide

2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 110900380) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID110900380
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCCOc1ccc(NC(C)C(=O)NCc2ccccc2C)cc1CO
InChIInChI=1S/C20H26N2O3/c1-4-25-19-10-9-18(11-17(19)13-23)22-15(3)20(24)21-12-16-8-6-5-7-14(16)2/h5-11,15,22-23H,4,12-13H2,1-3H3,(H,21,24)
InChIKeyQKWWDTKKWNDHOM-UHFFFAOYSA-N
XLogP3.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
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

N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
[2-ethoxy-5-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 60980206
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 60980334
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
2-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 54880127

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide (CID 110900380) is 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide is CCOc1ccc(NC(C)C(=O)NCc2ccccc2C)cc1CO.
What is the InChIKey of 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is QKWWDTKKWNDHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-25-19-10-9-18(11-17(19)13-23)22-15(3)20(24)21-12-16-8-6-5-7-14(16)2/h5-11,15,22-23H,4,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide?
2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 110900380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).