2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid

C13H17NO4 — CID 114217732

IUPAC2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid
SMILESC=C(C)CN(CC)C(=O)c1ccoc1CC(=O)O
InChIInChI=1S/C13H17NO4/c1-4-14(8-9(2)3)13(17)10-5-6-18-11(10)7-12(15)16/h5-6H,2,4,7-8H2,1,3H3,(H,15,16)
InChIKeyYTTPOWQOPCIQKD-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.94
Rot. Bonds6

About 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid

2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid (PubChem CID 114217732) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid
PubChem CID114217732
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid
SMILESC=C(C)CN(CC)C(=O)c1ccoc1CC(=O)O
InChIInChI=1S/C13H17NO4/c1-4-14(8-9(2)3)13(17)10-5-6-18-11(10)7-12(15)16/h5-6H,2,4,7-8H2,1,3H3,(H,15,16)
InChIKeyYTTPOWQOPCIQKD-UHFFFAOYSA-N
XLogP1.94
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
2-[[2-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119179361
N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide
CID 105380283
5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid
CID 75356028
2-[3-[methyl-[3-(methylamino)propyl]carbamoyl]furan-2-yl]acetic acid
CID 114217843
2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
CID 114217757
2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid
CID 114217765
N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide
CID 63107590
methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 113347115
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 102850823

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid?
The IUPAC name of 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid (CID 114217732) is 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid is C=C(C)CN(CC)C(=O)c1ccoc1CC(=O)O.
What is the InChIKey of 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid?
The InChIKey is YTTPOWQOPCIQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-14(8-9(2)3)13(17)10-5-6-18-11(10)7-12(15)16/h5-6H,2,4,7-8H2,1,3H3,(H,15,16).
What are the key properties of 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid?
2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid is sourced from PubChem (CID 114217732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).