N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide

C12H15NO3 — CID 165345561

IUPACN-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide
SMILESC=C[C@H](O)[C@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-11(15)10(8-14)13-12(16)9-6-4-3-5-7-9/h2-7,10-11,14-15H,1,8H2,(H,13,16)/t10-,11-/m0/s1
InChIKeyLVBAECYZCNUKRW-QWRGUYRKSA-N
MW221.26 g/mol
LogP0.32
Rot. Bonds5

About N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide

N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide (PubChem CID 165345561) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide
PubChem CID165345561
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide
SMILESC=C[C@H](O)[C@H](CO)NC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-11(15)10(8-14)13-12(16)9-6-4-3-5-7-9/h2-7,10-11,14-15H,1,8H2,(H,13,16)/t10-,11-/m0/s1
InChIKeyLVBAECYZCNUKRW-QWRGUYRKSA-N
XLogP0.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
N-[(2S,3R)-3,4-dihydroxy-1-phenylbutan-2-yl]benzamide
CID 15293513
N-[(4S,5S,6R)-5,6-dihydroxyhept-1-en-4-yl]benzamide
CID 12775367
N-(1-fluoroprop-2-enyl)benzamide
CID 69227826
N-(1-aminoprop-2-enyl)benzamide
CID 69046323
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 112700980
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-(1-amino-3-methylbutan-2-yl)benzamide
CID 65191008

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide (CID 165345561) is N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide is C=C[C@H](O)[C@H](CO)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide?
The InChIKey is LVBAECYZCNUKRW-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-11(15)10(8-14)13-12(16)9-6-4-3-5-7-9/h2-7,10-11,14-15H,1,8H2,(H,13,16)/t10-,11-/m0/s1.
What are the key properties of N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide?
N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide has a molecular weight of 221.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide is sourced from PubChem (CID 165345561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).