2-[benzyl(formyl)amino]-2-cyclohexylacetic acid

C16H21NO3 — CID 18954405

IUPAC2-[benzyl(formyl)amino]-2-cyclohexylacetic acid
SMILESO=CN(Cc1ccccc1)C(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H21NO3/c18-12-17(11-13-7-3-1-4-8-13)15(16(19)20)14-9-5-2-6-10-14/h1,3-4,7-8,12,14-15H,2,5-6,9-11H2,(H,19,20)
InChIKeyYMBMSBDVHQNNOW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.68
Rot. Bonds6

About 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid

2-[benzyl(formyl)amino]-2-cyclohexylacetic acid (PubChem CID 18954405) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[benzyl(formyl)amino]-2-cyclohexylacetic acid
PubChem CID18954405
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[benzyl(formyl)amino]-2-cyclohexylacetic acid
SMILESO=CN(Cc1ccccc1)C(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H21NO3/c18-12-17(11-13-7-3-1-4-8-13)15(16(19)20)14-9-5-2-6-10-14/h1,3-4,7-8,12,14-15H,2,5-6,9-11H2,(H,19,20)
InChIKeyYMBMSBDVHQNNOW-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid (CID 18954405) is 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid is O=CN(Cc1ccccc1)C(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid?
The InChIKey is YMBMSBDVHQNNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-12-17(11-13-7-3-1-4-8-13)15(16(19)20)14-9-5-2-6-10-14/h1,3-4,7-8,12,14-15H,2,5-6,9-11H2,(H,19,20).
What are the key properties of 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid?
2-[benzyl(formyl)amino]-2-cyclohexylacetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(formyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 18954405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).