methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate

C16H25NO4 — CID 61035373

IUPACmethyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate
SMILESCOCCCN(CCOC)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H25NO4/c1-19-11-4-9-17(10-12-20-2)13-14-5-7-15(8-6-14)16(18)21-3/h5-8H,4,9-13H2,1-3H3
InChIKeyIEDOIHYFBCJHMX-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.96
Rot. Bonds10

About methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate

methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate (PubChem CID 61035373) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate
PubChem CID61035373
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate
SMILESCOCCCN(CCOC)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C16H25NO4/c1-19-11-4-9-17(10-12-20-2)13-14-5-7-15(8-6-14)16(18)21-3/h5-8H,4,9-13H2,1-3H3
InChIKeyIEDOIHYFBCJHMX-UHFFFAOYSA-N
XLogP1.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
methyl 4-[[bis(6-aminohexyl)amino]methyl]benzoate
CID 152933256
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55170937
methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907
3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632
3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-phenylbenzamide
CID 87022215
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
methyl 4-(bromomethyl)benzoate;methyl 4-[(dimethylamino)methyl]benzoate
CID 70071463
methyl 4-[[2-(2-hydroxyphenyl)ethyl-(5-oxohexyl)amino]methyl]benzoate
CID 20828025

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate (CID 61035373) is methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate is COCCCN(CCOC)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate?
The InChIKey is IEDOIHYFBCJHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-19-11-4-9-17(10-12-20-2)13-14-5-7-15(8-6-14)16(18)21-3/h5-8H,4,9-13H2,1-3H3.
What are the key properties of methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate?
methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate has a molecular weight of 295.38 g/mol, XLogP of 1.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate is sourced from PubChem (CID 61035373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).