2-(propoxycarbonylamino)-5-propylbenzoic acid

C14H19NO4 — CID 19845672

IUPAC2-(propoxycarbonylamino)-5-propylbenzoic acid
SMILESCCCOC(=O)Nc1ccc(CCC)cc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-5-10-6-7-12(11(9-10)13(16)17)15-14(18)19-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOJCAFRCHEQMZCD-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.30
Rot. Bonds6

About 2-(propoxycarbonylamino)-5-propylbenzoic acid

2-(propoxycarbonylamino)-5-propylbenzoic acid (PubChem CID 19845672) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(propoxycarbonylamino)-5-propylbenzoic acid.

Molecular Properties

Compound Name2-(propoxycarbonylamino)-5-propylbenzoic acid
PubChem CID19845672
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(propoxycarbonylamino)-5-propylbenzoic acid
SMILESCCCOC(=O)Nc1ccc(CCC)cc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-5-10-6-7-12(11(9-10)13(16)17)15-14(18)19-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOJCAFRCHEQMZCD-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-(ethoxycarbonylamino)benzoic acid
CID 19845690
2,5-dipropylbenzoic acid
CID 139904729
2-[(2-ethoxy-2-oxoacetyl)amino]-5-ethylbenzoic acid
CID 110465813
4-(ethoxycarbonylamino)-6-methylbenzene-1,3-dicarboxylic acid
CID 174441448
5-hexyl-2-(methylamino)benzoic acid
CID 142177835
5-ethyl-2-(3-methoxypropanoylamino)benzoic acid
CID 110480431
5-ethyl-2-(1-phenylbutoxycarbonylamino)benzoic acid
CID 70378028
2-ethyl-6-(propoxycarbonylamino)benzoic acid
CID 19845860
sodium;dimethyl 4-propylbenzene-1,2-dicarboxylate;4-propylphthalic acid;hydroxide
CID 160669639
2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
CID 19845793
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219

Frequently Asked Questions

What is the IUPAC name of 2-(propoxycarbonylamino)-5-propylbenzoic acid?
The IUPAC name of 2-(propoxycarbonylamino)-5-propylbenzoic acid (CID 19845672) is 2-(propoxycarbonylamino)-5-propylbenzoic acid.
What is the SMILES notation for 2-(propoxycarbonylamino)-5-propylbenzoic acid?
The canonical SMILES for 2-(propoxycarbonylamino)-5-propylbenzoic acid is CCCOC(=O)Nc1ccc(CCC)cc1C(=O)O.
What is the InChIKey of 2-(propoxycarbonylamino)-5-propylbenzoic acid?
The InChIKey is OJCAFRCHEQMZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-5-10-6-7-12(11(9-10)13(16)17)15-14(18)19-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-(propoxycarbonylamino)-5-propylbenzoic acid?
2-(propoxycarbonylamino)-5-propylbenzoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxycarbonylamino)-5-propylbenzoic acid is sourced from PubChem (CID 19845672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).