2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid

C12H17NO5 — CID 114263481

IUPAC2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid
SMILESCCCCN(CCO)C(=O)c1occc1C(=O)O
InChIInChI=1S/C12H17NO5/c1-2-3-5-13(6-7-14)11(15)10-9(12(16)17)4-8-18-10/h4,8,14H,2-3,5-7H2,1H3,(H,16,17)
InChIKeyKYNSRUVPVGRCGT-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.21
Rot. Bonds7

About 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid

2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 114263481) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid
PubChem CID114263481
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid
SMILESCCCCN(CCO)C(=O)c1occc1C(=O)O
InChIInChI=1S/C12H17NO5/c1-2-3-5-13(6-7-14)11(15)10-9(12(16)17)4-8-18-10/h4,8,14H,2-3,5-7H2,1H3,(H,16,17)
InChIKeyKYNSRUVPVGRCGT-UHFFFAOYSA-N
XLogP1.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
furan-2,3-dicarboxylic acid;2-octyldodecan-1-ol
CID 175572575
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749456
3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 113365401
furan-2,3-dicarboxylic acid;octane-1,1-diamine
CID 175955754
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177894
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
N-butyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61448160
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 79808500
N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695876

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid (CID 114263481) is 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid is CCCCN(CCO)C(=O)c1occc1C(=O)O.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is KYNSRUVPVGRCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-2-3-5-13(6-7-14)11(15)10-9(12(16)17)4-8-18-10/h4,8,14H,2-3,5-7H2,1H3,(H,16,17).
What are the key properties of 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid?
2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 114263481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).