N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide

C16H21NO2 — CID 95379318

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C16H21NO2/c1-2-3-9-15(18)17-12-16(19,14-10-11-14)13-7-5-4-6-8-13/h2,4-8,14,19H,1,3,9-12H2,(H,17,18)/t16-/m1/s1
InChIKeyBYSYWOOAAULKKC-MRXNPFEDSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds7

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide (PubChem CID 95379318) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide
PubChem CID95379318
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C16H21NO2/c1-2-3-9-15(18)17-12-16(19,14-10-11-14)13-7-5-4-6-8-13/h2,4-8,14,19H,1,3,9-12H2,(H,17,18)/t16-/m1/s1
InChIKeyBYSYWOOAAULKKC-MRXNPFEDSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
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 N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide (CID 95379318) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide is C=CCCC(=O)NC[C@@](O)(c1ccccc1)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide?
The InChIKey is BYSYWOOAAULKKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-3-9-15(18)17-12-16(19,14-10-11-14)13-7-5-4-6-8-13/h2,4-8,14,19H,1,3,9-12H2,(H,17,18)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide has a molecular weight of 259.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]pent-4-enamide is sourced from PubChem (CID 95379318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).