N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide

C13H18ClNO2 — CID 110781864

IUPACN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
SMILESCOc1cc(C)c(CNC(=O)C(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-8(2)13(16)15-7-10-6-11(14)12(17-4)5-9(10)3/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyZQMDPXPUPMFITB-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.93
Rot. Bonds4

About N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide

N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide (PubChem CID 110781864) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
PubChem CID110781864
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
SMILESCOc1cc(C)c(CNC(=O)C(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-8(2)13(16)15-7-10-6-11(14)12(17-4)5-9(10)3/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyZQMDPXPUPMFITB-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
CID 116848615
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide (CID 110781864) is N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide is COc1cc(C)c(CNC(=O)C(C)C)cc1Cl.
What is the InChIKey of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide?
The InChIKey is ZQMDPXPUPMFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8(2)13(16)15-7-10-6-11(14)12(17-4)5-9(10)3/h5-6,8H,7H2,1-4H3,(H,15,16).
What are the key properties of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide?
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide has a molecular weight of 255.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 110781864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).