4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid

C19H21NO5 — CID 119165428

IUPAC4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid
SMILESCCOCCOc1ccccc1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-2-24-11-12-25-17-6-4-3-5-16(17)18(21)20-13-14-7-9-15(10-8-14)19(22)23/h3-10H,2,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyPWTMFBGJZSXWDQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.73
Rot. Bonds9

About 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid

4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid (PubChem CID 119165428) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid
PubChem CID119165428
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid
SMILESCCOCCOc1ccccc1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-2-24-11-12-25-17-6-4-3-5-16(17)18(21)20-13-14-7-9-15(10-8-14)19(22)23/h3-10H,2,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyPWTMFBGJZSXWDQ-UHFFFAOYSA-N
XLogP2.73
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.73
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

N-benzyl-2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17123042
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 17112651
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119549073
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]boronic acid
CID 140927924
(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid
CID 119237944
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
2-ethoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293453
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119620824
2-[[2-(2-ethoxyethoxy)benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17122769

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid (CID 119165428) is 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid is CCOCCOc1ccccc1C(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid?
The InChIKey is PWTMFBGJZSXWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-2-24-11-12-25-17-6-4-3-5-16(17)18(21)20-13-14-7-9-15(10-8-14)19(22)23/h3-10H,2,11-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid?
4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 119165428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).