1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid

C15H21NO4 — CID 61290910

IUPAC1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2(C(=O)O)CCCC(C)C2)o1
InChIInChI=1S/C15H21NO4/c1-3-11-6-7-12(20-11)13(17)16-15(14(18)19)8-4-5-10(2)9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyACEAJQRRYZAALS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds4

About 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid

1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61290910) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID61290910
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2(C(=O)O)CCCC(C)C2)o1
InChIInChI=1S/C15H21NO4/c1-3-11-6-7-12(20-11)13(17)16-15(14(18)19)8-4-5-10(2)9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyACEAJQRRYZAALS-UHFFFAOYSA-N
XLogP2.61
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid (CID 61290910) is 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid is CCc1ccc(C(=O)NC2(C(=O)O)CCCC(C)C2)o1.
What is the InChIKey of 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is ACEAJQRRYZAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-11-6-7-12(20-11)13(17)16-15(14(18)19)8-4-5-10(2)9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid?
1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61290910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).