2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid

C14H20N2O4 — CID 79469254

IUPAC2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
SMILESCN(C)Cc1ccc(C(=O)NCCOCC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-16(2)9-11-3-5-12(6-4-11)14(19)15-7-8-20-10-13(17)18/h3-6H,7-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGCQQHRYVPHWBGT-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.58
Rot. Bonds8

About 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid

2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid (PubChem CID 79469254) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
PubChem CID79469254
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid
SMILESCN(C)Cc1ccc(C(=O)NCCOCC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-16(2)9-11-3-5-12(6-4-11)14(19)15-7-8-20-10-13(17)18/h3-6H,7-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGCQQHRYVPHWBGT-UHFFFAOYSA-N
XLogP0.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
CID 79456816
3-[[4-[[deuteriomethyl(methyl)amino]methyl]benzoyl]amino]propanoic acid
CID 59032279
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699892
2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468837
2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
CID 79469118
3-[4-(2-methoxyethylcarbamoyl)phenyl]propanoic acid
CID 28760119
2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
CID 79457804
2-[[[4-[(dimethylamino)methyl]benzoyl]amino]methyl]butanoic acid
CID 65219407
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid (CID 79469254) is 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid is CN(C)Cc1ccc(C(=O)NCCOCC(=O)O)cc1.
What is the InChIKey of 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid?
The InChIKey is GCQQHRYVPHWBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16(2)9-11-3-5-12(6-4-11)14(19)15-7-8-20-10-13(17)18/h3-6H,7-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid?
2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(dimethylamino)methyl]benzoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79469254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).