2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid

C15H22N2O4 — CID 105345852

IUPAC2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
SMILESCOCCNC(=O)CN(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-17(11-14(18)16-7-8-21-2)10-13-5-3-12(4-6-13)9-15(19)20/h3-6H,7-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyQMOIHVJJDUASLT-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.51
Rot. Bonds9

About 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid

2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid (PubChem CID 105345852) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
PubChem CID105345852
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
SMILESCOCCNC(=O)CN(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-17(11-14(18)16-7-8-21-2)10-13-5-3-12(4-6-13)9-15(19)20/h3-6H,7-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyQMOIHVJJDUASLT-UHFFFAOYSA-N
XLogP0.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid 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

N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
2-[(6-amino-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62209093
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
2-[[5-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 63583278
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62465174
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
2-[(3-carbamothioyl-4-fluorophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107879290
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid (CID 105345852) is 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid is COCCNC(=O)CN(C)Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The InChIKey is QMOIHVJJDUASLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(11-14(18)16-7-8-21-2)10-13-5-3-12(4-6-13)9-15(19)20/h3-6H,7-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 105345852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).