2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide

C13H20N2O3 — CID 106235776

IUPAC2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
SMILESCOc1ccc(CNCCOCC(N)=O)cc1C
InChIInChI=1S/C13H20N2O3/c1-10-7-11(3-4-12(10)17-2)8-15-5-6-18-9-13(14)16/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyJLCBGPRTMWCMQQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.60
Rot. Bonds8

About 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide

2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide (PubChem CID 106235776) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
PubChem CID106235776
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
SMILESCOc1ccc(CNCCOCC(N)=O)cc1C
InChIInChI=1S/C13H20N2O3/c1-10-7-11(3-4-12(10)17-2)8-15-5-6-18-9-13(14)16/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyJLCBGPRTMWCMQQ-UHFFFAOYSA-N
XLogP0.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017
3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83117123
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide (CID 106235776) is 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide is COc1ccc(CNCCOCC(N)=O)cc1C.
What is the InChIKey of 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide?
The InChIKey is JLCBGPRTMWCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-7-11(3-4-12(10)17-2)8-15-5-6-18-9-13(14)16/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide?
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).