5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid

C16H19NO5 — CID 120690885

IUPAC5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
SMILESCC(C)OCCCC(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C16H19NO5/c1-10(2)21-7-3-4-15(18)17-12-5-6-13-11(8-12)9-14(22-13)16(19)20/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyABSNLSTWDUQRDE-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.27
Rot. Bonds7

About 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid

5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid (PubChem CID 120690885) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
PubChem CID120690885
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
SMILESCC(C)OCCCC(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C16H19NO5/c1-10(2)21-7-3-4-15(18)17-12-5-6-13-11(8-12)9-14(22-13)16(19)20/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyABSNLSTWDUQRDE-UHFFFAOYSA-N
XLogP3.27
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.27
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

5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-(2-butoxypropanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690744
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
2-[3-(4-propan-2-yloxybutanoylamino)phenyl]acetic acid
CID 120688421
5-[(2-pentylsulfonylacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690836
5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
CID 120690778
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 146091403
5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690748
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 129467811
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid (CID 120690885) is 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid is CC(C)OCCCC(=O)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid?
The InChIKey is ABSNLSTWDUQRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10(2)21-7-3-4-15(18)17-12-5-6-13-11(8-12)9-14(22-13)16(19)20/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid?
5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).