(E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide

C13H17NO2 — CID 101409602

IUPAC(E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide
SMILESCC(C)/C=C/[C@@H](O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)8-9-12(15)13(16)14-11-6-4-3-5-7-11/h3-10,12,15H,1-2H3,(H,14,16)/b9-8+/t12-/m1/s1
InChIKeyHPTZRMSXHLAPKP-IDVQTMNDSA-N
MW219.28 g/mol
LogP2.20
Rot. Bonds4

About (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide

(E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide (PubChem CID 101409602) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide.

Molecular Properties

Compound Name(E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide
PubChem CID101409602
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide
SMILESCC(C)/C=C/[C@@H](O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)8-9-12(15)13(16)14-11-6-4-3-5-7-11/h3-10,12,15H,1-2H3,(H,14,16)/b9-8+/t12-/m1/s1
InChIKeyHPTZRMSXHLAPKP-IDVQTMNDSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.20
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

(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(E,2R)-2-hydroxy-N-phenyl-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 11954690
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2-methyl-N,4,4-triphenylbut-3-enamide
CID 134919204
(2S)-2-(chloroamino)-3-methyl-N-phenylbutanamide
CID 88902411
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
N-[4-[(2,2-diphenylacetyl)amino]phenyl]-3-hydroxybutanamide
CID 110179103
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-methyl-N-phenylpentanamide
CID 4627801

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide?
The IUPAC name of (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide (CID 101409602) is (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide.
What is the SMILES notation for (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide?
The canonical SMILES for (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide is CC(C)/C=C/[C@@H](O)C(=O)Nc1ccccc1.
What is the InChIKey of (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide?
The InChIKey is HPTZRMSXHLAPKP-IDVQTMNDSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)8-9-12(15)13(16)14-11-6-4-3-5-7-11/h3-10,12,15H,1-2H3,(H,14,16)/b9-8+/t12-/m1/s1.
What are the key properties of (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide?
(E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-hydroxy-5-methyl-N-phenylhex-3-enamide is sourced from PubChem (CID 101409602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).