3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide

C15H21NO2 — CID 102147657

IUPAC3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide
SMILESC=C(C)CC(O)(CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(2)10-15(18,11-14(17)16(3)4)13-8-6-5-7-9-13/h5-9,18H,1,10-11H2,2-4H3
InChIKeyCWKVPZKPBDSFKA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.32
Rot. Bonds5

About 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide

3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide (PubChem CID 102147657) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide.

Molecular Properties

Compound Name3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide
PubChem CID102147657
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide
SMILESC=C(C)CC(O)(CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(2)10-15(18,11-14(17)16(3)4)13-8-6-5-7-9-13/h5-9,18H,1,10-11H2,2-4H3
InChIKeyCWKVPZKPBDSFKA-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide?
The IUPAC name of 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide (CID 102147657) is 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide.
What is the SMILES notation for 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide?
The canonical SMILES for 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide is C=C(C)CC(O)(CC(=O)N(C)C)c1ccccc1.
What is the InChIKey of 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide?
The InChIKey is CWKVPZKPBDSFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)10-15(18,11-14(17)16(3)4)13-8-6-5-7-9-13/h5-9,18H,1,10-11H2,2-4H3.
What are the key properties of 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide?
3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide is sourced from PubChem (CID 102147657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).