(E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide

C16H23NO2 — CID 11346023

IUPAC(E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide
SMILESC/C=C/C(=O)N(C[C@@H](C)CO)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-4-8-16(19)17(11-13(2)12-18)14(3)15-9-6-5-7-10-15/h4-10,13-14,18H,11-12H2,1-3H3/b8-4+/t13-,14+/m1/s1
InChIKeyDNLIYBVYRHJJED-RFHLNLMPSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds6

About (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide

(E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide (PubChem CID 11346023) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide
PubChem CID11346023
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide
SMILESC/C=C/C(=O)N(C[C@@H](C)CO)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-4-8-16(19)17(11-13(2)12-18)14(3)15-9-6-5-7-10-15/h4-10,13-14,18H,11-12H2,1-3H3/b8-4+/t13-,14+/m1/s1
InChIKeyDNLIYBVYRHJJED-RFHLNLMPSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide with MolForge

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Related Compounds

N-(2-methylpropyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 101152231
(E)-N-[(2S)-4-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]but-2-enamide
CID 11184518
N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
CID 10977361
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
1-phenylethyl(propyl)carbamic acid
CID 57360234
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
(E)-N-benzyl-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpent-2-enamide
CID 101089812
N,N-dibenzylbut-2-enamide
CID 71340814
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
CID 112725740
N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
CID 135041080

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide?
The IUPAC name of (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide (CID 11346023) is (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide?
The canonical SMILES for (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide is C/C=C/C(=O)N(C[C@@H](C)CO)[C@@H](C)c1ccccc1.
What is the InChIKey of (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide?
The InChIKey is DNLIYBVYRHJJED-RFHLNLMPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-8-16(19)17(11-13(2)12-18)14(3)15-9-6-5-7-10-15/h4-10,13-14,18H,11-12H2,1-3H3/b8-4+/t13-,14+/m1/s1.
What are the key properties of (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide?
(E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide is sourced from PubChem (CID 11346023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).