(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide

C14H19NO — CID 897562

IUPAC(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCC[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C14H19NO/c1-4-12(3)15-14(16)10-9-13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,15,16)/b10-9+/t12-/m1/s1
InChIKeyOKXKPRVYJURGPX-BZYZDCJZSA-N
MW217.31 g/mol
LogP2.92
Rot. Bonds4

About (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 897562) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID897562
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCC[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C14H19NO/c1-4-12(3)15-14(16)10-9-13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,15,16)/b10-9+/t12-/m1/s1
InChIKeyOKXKPRVYJURGPX-BZYZDCJZSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.92
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

N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
(Z)-N-[(2S)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005655
(Z)-N-[(2R)-butan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 93005654
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
4-[(E)-3-(butan-2-ylamino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134034315
(Z)-N-[(2S)-butan-2-yl]-3-(3-chloro-4-methylphenyl)prop-2-enamide
CID 97304937
(E)-3-(3-amino-4-methylphenyl)-N-butan-2-ylprop-2-enamide
CID 82044068
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 34735632
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 79253158
(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide (CID 897562) is (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide is CC[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is OKXKPRVYJURGPX-BZYZDCJZSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-12(3)15-14(16)10-9-13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3,(H,15,16)/b10-9+/t12-/m1/s1.
What are the key properties of (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 897562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).