N-[(1R)-1-phenylethyl]but-2-enamide

C12H15NO — CID 778457

IUPACN-[(1R)-1-phenylethyl]but-2-enamide
SMILESCC=CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-7-12(14)13-10(2)11-8-5-4-6-9-11/h3-10H,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyDAUQSSMGAMQHGD-SNVBAGLBSA-N
MW189.26 g/mol
LogP2.44
Rot. Bonds3

About N-[(1R)-1-phenylethyl]but-2-enamide

N-[(1R)-1-phenylethyl]but-2-enamide (PubChem CID 778457) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]but-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]but-2-enamide
PubChem CID778457
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[(1R)-1-phenylethyl]but-2-enamide
SMILESCC=CC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-7-12(14)13-10(2)11-8-5-4-6-9-11/h3-10H,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyDAUQSSMGAMQHGD-SNVBAGLBSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
N-benzhydrylbut-2-enamide
CID 78906490
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
4-oxo-4-(1-phenylethylamino)but-2-enoate
CID 4157089
(E)-N-[(1S)-1-pyridin-3-ylethyl]but-2-enamide
CID 78951181
(E)-N-[(1S)-1-(4-methoxyphenyl)ethyl]but-2-enamide
CID 81370657
N-[1-(3-acetamidophenyl)ethyl]but-2-enamide
CID 113221646
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
N-[1-(2-methylphenyl)ethyl]but-2-enamide
CID 78906695
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(E)-3-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315117
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]but-2-enamide?
The IUPAC name of N-[(1R)-1-phenylethyl]but-2-enamide (CID 778457) is N-[(1R)-1-phenylethyl]but-2-enamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]but-2-enamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]but-2-enamide is CC=CC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]but-2-enamide?
The InChIKey is DAUQSSMGAMQHGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-7-12(14)13-10(2)11-8-5-4-6-9-11/h3-10H,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]but-2-enamide?
N-[(1R)-1-phenylethyl]but-2-enamide has a molecular weight of 189.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]but-2-enamide is sourced from PubChem (CID 778457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).