2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide

C12H17ClN2O3 — CID 114162139

IUPAC2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1cccc(Cl)c1CNCCOCC(N)=O
InChIInChI=1S/C12H17ClN2O3/c1-17-11-4-2-3-10(13)9(11)7-15-5-6-18-8-12(14)16/h2-4,15H,5-8H2,1H3,(H2,14,16)
InChIKeyOUVCCNFIGCVARA-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.94
Rot. Bonds8

About 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide

2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide (PubChem CID 114162139) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
PubChem CID114162139
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1cccc(Cl)c1CNCCOCC(N)=O
InChIInChI=1S/C12H17ClN2O3/c1-17-11-4-2-3-10(13)9(11)7-15-5-6-18-8-12(14)16/h2-4,15H,5-8H2,1H3,(H2,14,16)
InChIKeyOUVCCNFIGCVARA-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetate
CID 103292979
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
3-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxypropanimidamide
CID 103292702
2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
CID 106236592
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
2-[2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]ethoxy]acetamide
CID 106235526
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide (CID 114162139) is 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide is COc1cccc(Cl)c1CNCCOCC(N)=O.
What is the InChIKey of 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide?
The InChIKey is OUVCCNFIGCVARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-17-11-4-2-3-10(13)9(11)7-15-5-6-18-8-12(14)16/h2-4,15H,5-8H2,1H3,(H2,14,16).
What are the key properties of 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide?
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide has a molecular weight of 272.73 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 114162139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).