N-[(3S)-3-hydroxyhex-5-enyl]benzamide

C13H17NO2 — CID 101251672

IUPACN-[(3S)-3-hydroxyhex-5-enyl]benzamide
SMILESC=CC[C@H](O)CCNC(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-6-12(15)9-10-14-13(16)11-7-4-3-5-8-11/h2-5,7-8,12,15H,1,6,9-10H2,(H,14,16)/t12-/m0/s1
InChIKeyLEACWIBLBQXMII-LBPRGKRZSA-N
MW219.28 g/mol
LogP1.74
Rot. Bonds6

About N-[(3S)-3-hydroxyhex-5-enyl]benzamide

N-[(3S)-3-hydroxyhex-5-enyl]benzamide (PubChem CID 101251672) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(3S)-3-hydroxyhex-5-enyl]benzamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxyhex-5-enyl]benzamide
PubChem CID101251672
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(3S)-3-hydroxyhex-5-enyl]benzamide
SMILESC=CC[C@H](O)CCNC(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-2-6-12(15)9-10-14-13(16)11-7-4-3-5-8-11/h2-5,7-8,12,15H,1,6,9-10H2,(H,14,16)/t12-/m0/s1
InChIKeyLEACWIBLBQXMII-LBPRGKRZSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.74
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

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CID 90523327
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N-(3-phenylbutyl)benzamide
CID 62403316
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-prop-2-enoxypropyl)benzamide
CID 10775246
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
[(2R)-2-hydroxypent-4-enyl] benzoate
CID 11106524
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
N-[(4S,5S,6R)-5,6-dihydroxyhept-1-en-4-yl]benzamide
CID 12775367
N'-hept-1-en-4-ylbenzohydrazide
CID 77139407

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxyhex-5-enyl]benzamide?
The IUPAC name of N-[(3S)-3-hydroxyhex-5-enyl]benzamide (CID 101251672) is N-[(3S)-3-hydroxyhex-5-enyl]benzamide.
What is the SMILES notation for N-[(3S)-3-hydroxyhex-5-enyl]benzamide?
The canonical SMILES for N-[(3S)-3-hydroxyhex-5-enyl]benzamide is C=CC[C@H](O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[(3S)-3-hydroxyhex-5-enyl]benzamide?
The InChIKey is LEACWIBLBQXMII-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-6-12(15)9-10-14-13(16)11-7-4-3-5-8-11/h2-5,7-8,12,15H,1,6,9-10H2,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxyhex-5-enyl]benzamide?
N-[(3S)-3-hydroxyhex-5-enyl]benzamide has a molecular weight of 219.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxyhex-5-enyl]benzamide is sourced from PubChem (CID 101251672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).