N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide

C14H19NO2 — CID 10977361

IUPACN-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
SMILESC/C=C/CN(C(=O)CO)[C@H](C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-4-10-15(14(17)11-16)12(2)13-8-6-5-7-9-13/h3-9,12,16H,10-11H2,1-2H3/b4-3+/t12-/m1/s1
InChIKeyKNAOIZKUPWJHFH-AAOUONPWSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds5

About N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide

N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 10977361) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
PubChem CID10977361
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
SMILESC/C=C/CN(C(=O)CO)[C@H](C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-3-4-10-15(14(17)11-16)12(2)13-8-6-5-7-9-13/h3-9,12,16H,10-11H2,1-2H3/b4-3+/t12-/m1/s1
InChIKeyKNAOIZKUPWJHFH-AAOUONPWSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
CID 135041080
N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
CID 42696067
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
(E)-N-[(2R)-3-hydroxy-2-methylpropyl]-N-[(1S)-1-phenylethyl]but-2-enamide
CID 11346023
1-phenylethyl(propyl)carbamic acid
CID 57360234
ethyl (E)-4-[(3-methoxy-3-oxopropanoyl)-[(1R)-1-phenylethyl]amino]but-2-enoate
CID 100924082
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
(E)-N-ethyl-5-phenyl-N-(1-phenylethyl)pent-4-enamide
CID 66486378
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
2-[(2-bromoacetyl)-[(1R)-1-phenylethyl]amino]acetic acid
CID 146503084

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide (CID 10977361) is N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide is C/C=C/CN(C(=O)CO)[C@H](C)c1ccccc1.
What is the InChIKey of N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is KNAOIZKUPWJHFH-AAOUONPWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-10-15(14(17)11-16)12(2)13-8-6-5-7-9-13/h3-9,12,16H,10-11H2,1-2H3/b4-3+/t12-/m1/s1.
What are the key properties of N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide?
N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 10977361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).