2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide

C13H19ClN2O3 — CID 56815803

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O3/c1-18-6-5-16(9-13(15)17)8-10-7-11(14)3-4-12(10)19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyNMWPWTSITOWBLC-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.28
Rot. Bonds8

About 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide

2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide (PubChem CID 56815803) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
PubChem CID56815803
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O3/c1-18-6-5-16(9-13(15)17)8-10-7-11(14)3-4-12(10)19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H2,15,17)
InChIKeyNMWPWTSITOWBLC-UHFFFAOYSA-N
XLogP1.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 63285770
3-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]propanoic acid
CID 61010059
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
2-[(2-amino-2-oxoethyl)-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440793
2-[(2-amino-4-chlorophenyl)methyl-butylamino]acetamide
CID 55037491
2-[(4-chloro-2-nitrophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 62102758
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
2-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112519079

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide (CID 56815803) is 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide?
The InChIKey is NMWPWTSITOWBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-6-5-16(9-13(15)17)8-10-7-11(14)3-4-12(10)19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide?
2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide has a molecular weight of 286.76 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 56815803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).