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

C18H21ClN2O3 — CID 110900389

IUPACN-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
SMILESCCOc1ccc(NC(C)C(=O)Nc2ccccc2Cl)cc1CO
InChIInChI=1S/C18H21ClN2O3/c1-3-24-17-9-8-14(10-13(17)11-22)20-12(2)18(23)21-16-7-5-4-6-15(16)19/h4-10,12,20,22H,3,11H2,1-2H3,(H,21,23)
InChIKeyZIRLOQPKGQLEOY-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.67
Rot. Bonds7

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

N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide (PubChem CID 110900389) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
PubChem CID110900389
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
SMILESCCOc1ccc(NC(C)C(=O)Nc2ccccc2Cl)cc1CO
InChIInChI=1S/C18H21ClN2O3/c1-3-24-17-9-8-14(10-13(17)11-22)20-12(2)18(23)21-16-7-5-4-6-15(16)19/h4-10,12,20,22H,3,11H2,1-2H3,(H,21,23)
InChIKeyZIRLOQPKGQLEOY-UHFFFAOYSA-N
XLogP3.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.67
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

2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
2-[4-ethoxy-3-(hydroxymethyl)anilino]-N-[(2-methylphenyl)methyl]propanamide
CID 110900380
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
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
N-(2-chlorophenyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18289314
(2R)-N-(2-chlorophenyl)-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propanamide
CID 96548422
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide (CID 110900389) is N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide is CCOc1ccc(NC(C)C(=O)Nc2ccccc2Cl)cc1CO.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide?
The InChIKey is ZIRLOQPKGQLEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-3-24-17-9-8-14(10-13(17)11-22)20-12(2)18(23)21-16-7-5-4-6-15(16)19/h4-10,12,20,22H,3,11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide?
N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide has a molecular weight of 348.83 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 110900389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).