N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide

C15H23ClN2O3 — CID 106255250

IUPACN-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
SMILESCOCCC(C)(O)CNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H23ClN2O3/c1-11-4-5-12(16)8-13(11)18-14(19)9-17-10-15(2,20)6-7-21-3/h4-5,8,17,20H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyPNYVDELBAREPRD-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.96
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide (PubChem CID 106255250) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
PubChem CID106255250
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
SMILESCOCCC(C)(O)CNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H23ClN2O3/c1-11-4-5-12(16)8-13(11)18-14(19)9-17-10-15(2,20)6-7-21-3/h4-5,8,17,20H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyPNYVDELBAREPRD-UHFFFAOYSA-N
XLogP1.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
CID 63829118
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide (CID 106255250) is N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide is COCCC(C)(O)CNCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide?
The InChIKey is PNYVDELBAREPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-11-4-5-12(16)8-13(11)18-14(19)9-17-10-15(2,20)6-7-21-3/h4-5,8,17,20H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide has a molecular weight of 314.81 g/mol, XLogP of 1.96, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide is sourced from PubChem (CID 106255250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).