3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate

C14H21NO4 — CID 82533370

IUPAC3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate
SMILESCOCC(=O)OCCCNCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-17-11-14(16)19-9-3-8-15-10-12-4-6-13(18-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyGNMULRCSZIYXBN-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.36
Rot. Bonds9

About 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate

3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate (PubChem CID 82533370) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate
PubChem CID82533370
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate
SMILESCOCC(=O)OCCCNCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-17-11-14(16)19-9-3-8-15-10-12-4-6-13(18-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyGNMULRCSZIYXBN-UHFFFAOYSA-N
XLogP1.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methylamino]propyl 2-methoxyacetate
CID 82533468
2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
CID 82533040
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
5-[(4-methoxyphenyl)methylamino]pentan-2-one
CID 115236436
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
CID 22006364
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate
CID 82533390
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
[(E)-6-[(4-methoxyphenyl)methylamino]hex-2-enyl] acetate
CID 11011297

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate (CID 82533370) is 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate is COCC(=O)OCCCNCc1ccc(OC)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate?
The InChIKey is GNMULRCSZIYXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-11-14(16)19-9-3-8-15-10-12-4-6-13(18-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate?
3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate has a molecular weight of 267.32 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]propyl 2-methoxyacetate is sourced from PubChem (CID 82533370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).