2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid

C14H18N2O5 — CID 115923787

IUPAC2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
SMILESCOCCNC(=O)CNC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-21-7-6-15-13(18)9-16-12(17)8-10-4-2-3-5-11(10)14(19)20/h2-5H,6-9H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyWRADKWCCSPAWLG-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.19
Rot. Bonds8

About 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid

2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid (PubChem CID 115923787) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
PubChem CID115923787
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
SMILESCOCCNC(=O)CNC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-21-7-6-15-13(18)9-16-12(17)8-10-4-2-3-5-11(10)14(19)20/h2-5H,6-9H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyWRADKWCCSPAWLG-UHFFFAOYSA-N
XLogP-0.19
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
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-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
2-[2-(2-methoxyethoxyamino)-2-oxoethyl]benzoic acid
CID 104601734
2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
2-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]benzoic acid
CID 115923776
2-[(5-methoxypentylamino)methyl]benzoic acid
CID 114131402

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid (CID 115923787) is 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid is COCCNC(=O)CNC(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid?
The InChIKey is WRADKWCCSPAWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-7-6-15-13(18)9-16-12(17)8-10-4-2-3-5-11(10)14(19)20/h2-5H,6-9H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid?
2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 115923787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).