4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid

C14H18N2O5 — CID 43214758

IUPAC4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
SMILESCCCCNC(=O)NC(=O)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-3-8-15-14(20)16-12(17)9-21-11-6-4-10(5-7-11)13(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyVXPYWXJFMLDLDB-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.39
Rot. Bonds7

About 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid

4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid (PubChem CID 43214758) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
PubChem CID43214758
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
SMILESCCCCNC(=O)NC(=O)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H18N2O5/c1-2-3-8-15-14(20)16-12(17)9-21-11-6-4-10(5-7-11)13(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeyVXPYWXJFMLDLDB-UHFFFAOYSA-N
XLogP1.39
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.39
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

4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
4-methyl-3-[2-oxo-2-(propylcarbamoylamino)ethoxy]benzoic acid
CID 60698853
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
CID 54908666
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-(1,3-benzodioxol-5-yloxy)-N-(butylcarbamoyl)acetamide
CID 9137733
[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 26728415
4-[2-(butylamino)ethoxy]benzoic acid
CID 103232655
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
2-(2-benzylphenoxy)-N-(butylcarbamoyl)acetamide
CID 9138041
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid (CID 43214758) is 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid is CCCCNC(=O)NC(=O)COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is VXPYWXJFMLDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-3-8-15-14(20)16-12(17)9-21-11-6-4-10(5-7-11)13(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid?
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 43214758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).