N-methyl-N-(2-phenylpropyl)but-3-enamide

C14H19NO — CID 143446604

IUPACN-methyl-N-(2-phenylpropyl)but-3-enamide
SMILESC=CCC(=O)N(C)CC(C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-4-8-14(16)15(3)11-12(2)13-9-6-5-7-10-13/h4-7,9-10,12H,1,8,11H2,2-3H3
InChIKeyXIQDXYFQCXTAIT-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.82
Rot. Bonds5

About N-methyl-N-(2-phenylpropyl)but-3-enamide

N-methyl-N-(2-phenylpropyl)but-3-enamide (PubChem CID 143446604) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-methyl-N-(2-phenylpropyl)but-3-enamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylpropyl)but-3-enamide
PubChem CID143446604
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-methyl-N-(2-phenylpropyl)but-3-enamide
SMILESC=CCC(=O)N(C)CC(C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-4-8-14(16)15(3)11-12(2)13-9-6-5-7-10-13/h4-7,9-10,12H,1,8,11H2,2-3H3
InChIKeyXIQDXYFQCXTAIT-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(methylsulfamoyl)-N-(2-phenylpropyl)acetamide
CID 71974926
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
2-(1-acetylpiperidin-4-yl)-N-methyl-N-(2-phenylpropyl)acetamide
CID 110246293
5-[methyl-[(2S)-2-phenylpropyl]carbamoyl]furan-2-carboxylic acid
CID 99851700
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
(2R)-2-[[(2R)-2-hydroxypropyl]-prop-2-enylamino]-2-phenylacetic acid
CID 151553920
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-oxo-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 110246860
N,N-dibenzylbut-3-enamide
CID 134848345
(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184
(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
CID 95626159
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylpropyl)but-3-enamide?
The IUPAC name of N-methyl-N-(2-phenylpropyl)but-3-enamide (CID 143446604) is N-methyl-N-(2-phenylpropyl)but-3-enamide.
What is the SMILES notation for N-methyl-N-(2-phenylpropyl)but-3-enamide?
The canonical SMILES for N-methyl-N-(2-phenylpropyl)but-3-enamide is C=CCC(=O)N(C)CC(C)c1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylpropyl)but-3-enamide?
The InChIKey is XIQDXYFQCXTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-8-14(16)15(3)11-12(2)13-9-6-5-7-10-13/h4-7,9-10,12H,1,8,11H2,2-3H3.
What are the key properties of N-methyl-N-(2-phenylpropyl)but-3-enamide?
N-methyl-N-(2-phenylpropyl)but-3-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylpropyl)but-3-enamide is sourced from PubChem (CID 143446604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).