2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide

C12H17ClN2O3 — CID 106236132

IUPAC2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1ccc(CNCCOCC(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-17-11-3-2-9(6-10(11)13)7-15-4-5-18-8-12(14)16/h2-3,6,15H,4-5,7-8H2,1H3,(H2,14,16)
InChIKeyKKWOLCRTSUTKHA-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.94
Rot. Bonds8

About 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide

2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide (PubChem CID 106236132) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
PubChem CID106236132
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1ccc(CNCCOCC(N)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-17-11-3-2-9(6-10(11)13)7-15-4-5-18-8-12(14)16/h2-3,6,15H,4-5,7-8H2,1H3,(H2,14,16)
InChIKeyKKWOLCRTSUTKHA-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'}

Analyze 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]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

2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
4-[(3-chloro-4-methoxyphenyl)methylamino]butan-2-ol
CID 65021347
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106235635
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide (CID 106236132) is 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide is COc1ccc(CNCCOCC(N)=O)cc1Cl.
What is the InChIKey of 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide?
The InChIKey is KKWOLCRTSUTKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-17-11-3-2-9(6-10(11)13)7-15-4-5-18-8-12(14)16/h2-3,6,15H,4-5,7-8H2,1H3,(H2,14,16).
What are the key properties of 2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide?
2-[2-[(3-chloro-4-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-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106236132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).