N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide

C14H18N2O2 — CID 2843096

IUPACN-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide
SMILESCC(O)(C(=O)NN=C1CCCC1)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-14(18,11-7-3-2-4-8-11)13(17)16-15-12-9-5-6-10-12/h2-4,7-8,18H,5-6,9-10H2,1H3,(H,16,17)
InChIKeyFJMQLQSNYOAVBT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.94
Rot. Bonds3

About N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide

N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide (PubChem CID 2843096) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide
PubChem CID2843096
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide
SMILESCC(O)(C(=O)NN=C1CCCC1)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-14(18,11-7-3-2-4-8-11)13(17)16-15-12-9-5-6-10-12/h2-4,7-8,18H,5-6,9-10H2,1H3,(H,16,17)
InChIKeyFJMQLQSNYOAVBT-UHFFFAOYSA-N
XLogP1.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide?
The IUPAC name of N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide (CID 2843096) is N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide is CC(O)(C(=O)NN=C1CCCC1)c1ccccc1.
What is the InChIKey of N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide?
The InChIKey is FJMQLQSNYOAVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(18,11-7-3-2-4-8-11)13(17)16-15-12-9-5-6-10-12/h2-4,7-8,18H,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide?
N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 2843096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).