4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid

C14H19NO5 — CID 103790262

IUPAC4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
SMILESCOCCOCCCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-19-9-10-20-8-2-7-15-13(16)11-3-5-12(6-4-11)14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyLELDFHASCFSRQQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.17
Rot. Bonds9

About 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid

4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid (PubChem CID 103790262) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
PubChem CID103790262
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
SMILESCOCCOCCCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-19-9-10-20-8-2-7-15-13(16)11-3-5-12(6-4-11)14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyLELDFHASCFSRQQ-UHFFFAOYSA-N
XLogP1.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.17
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

4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
CID 131885807
CID 131885807
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid?
The IUPAC name of 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid (CID 103790262) is 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid is COCCOCCCNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid?
The InChIKey is LELDFHASCFSRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-9-10-20-8-2-7-15-13(16)11-3-5-12(6-4-11)14(17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid?
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid is sourced from PubChem (CID 103790262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).