2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide

C15H21NO — CID 54298724

IUPAC2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO/c1-5-6-12(4)15(17)16-14-9-7-13(8-10-14)11(2)3/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeySCQQBZASNXGHJU-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.10
Rot. Bonds4

About 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide

2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide (PubChem CID 54298724) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide
PubChem CID54298724
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide
SMILESCCC=C(C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H21NO/c1-5-6-12(4)15(17)16-14-9-7-13(8-10-14)11(2)3/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeySCQQBZASNXGHJU-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.10
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-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
CID 142913201
propyl 4-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43431226
1-[4-[[(Z)-2-methylpent-2-enoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912949
1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea
CID 108910510
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
CID 51471886
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
(E)-2-methyl-N-(1H-pyrazol-4-yl)pent-2-enamide
CID 43430674
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide?
The IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide (CID 54298724) is 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide is CCC=C(C)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide?
The InChIKey is SCQQBZASNXGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-6-12(4)15(17)16-14-9-7-13(8-10-14)11(2)3/h6-11H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide?
2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide is sourced from PubChem (CID 54298724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).