1-acetamido-2-phenoxycyclohexane-1-carboxylic acid

C15H19NO4 — CID 141044889

IUPAC1-acetamido-2-phenoxycyclohexane-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCCCC1Oc1ccccc1
InChIInChI=1S/C15H19NO4/c1-11(17)16-15(14(18)19)10-6-5-9-13(15)20-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyXEQGGNIBBQCTET-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.97
Rot. Bonds4

About 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid

1-acetamido-2-phenoxycyclohexane-1-carboxylic acid (PubChem CID 141044889) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-acetamido-2-phenoxycyclohexane-1-carboxylic acid
PubChem CID141044889
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-acetamido-2-phenoxycyclohexane-1-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCCCC1Oc1ccccc1
InChIInChI=1S/C15H19NO4/c1-11(17)16-15(14(18)19)10-6-5-9-13(15)20-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyXEQGGNIBBQCTET-UHFFFAOYSA-N
XLogP1.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid (CID 141044889) is 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid is CC(=O)NC1(C(=O)O)CCCCC1Oc1ccccc1.
What is the InChIKey of 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid?
The InChIKey is XEQGGNIBBQCTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(17)16-15(14(18)19)10-6-5-9-13(15)20-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid?
1-acetamido-2-phenoxycyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-2-phenoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 141044889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).