2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide

C12H17ClN2O2 — CID 115259987

IUPAC2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
SMILESCOc1cc(C)c(CN(C)CC(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8-4-11(17-3)10(13)5-9(8)6-15(2)7-12(14)16/h4-5H,6-7H2,1-3H3,(H2,14,16)
InChIKeyZZEQOMJMBGKZPV-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.57
Rot. Bonds5

About 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide

2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide (PubChem CID 115259987) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
PubChem CID115259987
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
SMILESCOc1cc(C)c(CN(C)CC(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8-4-11(17-3)10(13)5-9(8)6-15(2)7-12(14)16/h4-5H,6-7H2,1-3H3,(H2,14,16)
InChIKeyZZEQOMJMBGKZPV-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260223
4-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]butanenitrile
CID 115231812
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
CID 115234566
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]butan-2-one
CID 115235800
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260265
2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
CID 62052942

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide (CID 115259987) is 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide is COc1cc(C)c(CN(C)CC(N)=O)cc1Cl.
What is the InChIKey of 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide?
The InChIKey is ZZEQOMJMBGKZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-4-11(17-3)10(13)5-9(8)6-15(2)7-12(14)16/h4-5H,6-7H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide?
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 115259987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).