(E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide

C21H25NO2 — CID 101089812

IUPAC(E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide
SMILESCC(C)/C=C/C(=O)N(Cc1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-17(2)13-14-21(24)22(15-18-9-5-3-6-10-18)20(16-23)19-11-7-4-8-12-19/h3-14,17,20,23H,15-16H2,1-2H3/b14-13+/t20-/m0/s1
InChIKeyQUWUBIUBFNOBRQ-AIGDTVQASA-N
MW323.44 g/mol
LogP3.96
Rot. Bonds7

About (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide

(E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide (PubChem CID 101089812) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide
PubChem CID101089812
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide
SMILESCC(C)/C=C/C(=O)N(Cc1ccccc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-17(2)13-14-21(24)22(15-18-9-5-3-6-10-18)20(16-23)19-11-7-4-8-12-19/h3-14,17,20,23H,15-16H2,1-2H3/b14-13+/t20-/m0/s1
InChIKeyQUWUBIUBFNOBRQ-AIGDTVQASA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 11748505
CID 136872538
CID 136872538
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
(3S)-N-benzyl-3-diethoxyphosphoryl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 101089814
1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea
CID 108910908
(2R)-2-[benzyl-[(E,2R)-5,5-dimethylhex-3-en-2-yl]amino]-2-phenylethanol
CID 11267709
(2R)-2-[amino(benzyl)amino]-2-phenylethanol
CID 15856855
N-benzyl-N-propan-2-ylacetamide
CID 23534449
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 126749944
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
1-benzyl-3-diazo-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 46217126

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide?
The IUPAC name of (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide (CID 101089812) is (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide is CC(C)/C=C/C(=O)N(Cc1ccccc1)[C@@H](CO)c1ccccc1.
What is the InChIKey of (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide?
The InChIKey is QUWUBIUBFNOBRQ-AIGDTVQASA-N. The full InChI is InChI=1S/C21H25NO2/c1-17(2)13-14-21(24)22(15-18-9-5-3-6-10-18)20(16-23)19-11-7-4-8-12-19/h3-14,17,20,23H,15-16H2,1-2H3/b14-13+/t20-/m0/s1.
What are the key properties of (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide?
(E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide has a molecular weight of 323.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide is sourced from PubChem (CID 101089812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).