(5S)-5-hydroxy-N-phenyloct-6-enamide

C14H19NO2 — CID 91143189

IUPAC(5S)-5-hydroxy-N-phenyloct-6-enamide
SMILESCC=C[C@@H](O)CCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-7-13(16)10-6-11-14(17)15-12-8-4-3-5-9-12/h2-5,7-9,13,16H,6,10-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyQTLMTNWHGRODMG-CYBMUJFWSA-N
MW233.31 g/mol
LogP2.73
Rot. Bonds6

About (5S)-5-hydroxy-N-phenyloct-6-enamide

(5S)-5-hydroxy-N-phenyloct-6-enamide (PubChem CID 91143189) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5S)-5-hydroxy-N-phenyloct-6-enamide.

Molecular Properties

Compound Name(5S)-5-hydroxy-N-phenyloct-6-enamide
PubChem CID91143189
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5S)-5-hydroxy-N-phenyloct-6-enamide
SMILESCC=C[C@@H](O)CCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-7-13(16)10-6-11-14(17)15-12-8-4-3-5-9-12/h2-5,7-9,13,16H,6,10-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyQTLMTNWHGRODMG-CYBMUJFWSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-dibromo-N-phenylpentanamide
CID 174352057
(5R)-5-methyl-N,6-diphenylhexanamide
CID 102237947
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
N-phenylpentacosanamide
CID 19025260
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
N-phenylheptatetracontanamide
CID 150503307
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
(Z)-3-iodo-N-phenylpent-3-enamide
CID 71606946
5-methylsulfanyl-N-phenylpentanamide
CID 57105237

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-N-phenyloct-6-enamide?
The IUPAC name of (5S)-5-hydroxy-N-phenyloct-6-enamide (CID 91143189) is (5S)-5-hydroxy-N-phenyloct-6-enamide.
What is the SMILES notation for (5S)-5-hydroxy-N-phenyloct-6-enamide?
The canonical SMILES for (5S)-5-hydroxy-N-phenyloct-6-enamide is CC=C[C@@H](O)CCCC(=O)Nc1ccccc1.
What is the InChIKey of (5S)-5-hydroxy-N-phenyloct-6-enamide?
The InChIKey is QTLMTNWHGRODMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-7-13(16)10-6-11-14(17)15-12-8-4-3-5-9-12/h2-5,7-9,13,16H,6,10-11H2,1H3,(H,15,17)/t13-/m1/s1.
What are the key properties of (5S)-5-hydroxy-N-phenyloct-6-enamide?
(5S)-5-hydroxy-N-phenyloct-6-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-N-phenyloct-6-enamide is sourced from PubChem (CID 91143189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).