(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide

C15H21NO2 — CID 10857796

IUPAC(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
SMILESC=CC[C@H](C)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-7-12(2)15(18)16-14(11-17)10-13-8-5-4-6-9-13/h3-6,8-9,12,14,17H,1,7,10-11H2,2H3,(H,16,18)/t12-,14-/m0/s1
InChIKeyYJAWUSPJMRWNMV-JSGCOSHPSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds7

About (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide

(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide (PubChem CID 10857796) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
PubChem CID10857796
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
SMILESC=CC[C@H](C)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-7-12(2)15(18)16-14(11-17)10-13-8-5-4-6-9-13/h3-6,8-9,12,14,17H,1,7,10-11H2,2H3,(H,16,18)/t12-,14-/m0/s1
InChIKeyYJAWUSPJMRWNMV-JSGCOSHPSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
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

N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
CID 4070898
[(2S)-1-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pent-4-enoylamino]propan-2-yl] (2S)-2-methylpent-4-enoate
CID 6613984
[(2S)-2-[2-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]pent-4-enoylamino]-3-phenylpropyl] (2S)-2-methylpent-4-enoate
CID 6613925
[(1S,2S)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pent-4-enoylamino]-3-methoxy-1-phenylpropyl] (2S)-2-methylpent-4-enoate
CID 6613983
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55169772
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
[(2S)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]pent-4-enoylamino]-3-phenylpropyl] (2S)-2-benzylpent-4-enoate
CID 6613997
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide?
The IUPAC name of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide (CID 10857796) is (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide.
What is the SMILES notation for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide?
The canonical SMILES for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide is C=CC[C@H](C)C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide?
The InChIKey is YJAWUSPJMRWNMV-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-7-12(2)15(18)16-14(11-17)10-13-8-5-4-6-9-13/h3-6,8-9,12,14,17H,1,7,10-11H2,2H3,(H,16,18)/t12-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide?
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide has a molecular weight of 247.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide is sourced from PubChem (CID 10857796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).