(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide

C15H21NO — CID 142913315

IUPAC(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide
SMILESC/C=C(\C)C(=O)Nc1ccc(CCC)c(C)c1
InChIInChI=1S/C15H21NO/c1-5-7-13-8-9-14(10-12(13)4)16-15(17)11(3)6-2/h6,8-10H,5,7H2,1-4H3,(H,16,17)/b11-6+
InChIKeyASHNEXBFIVAUEA-IZZDOVSWSA-N
MW231.34 g/mol
LogP3.85
Rot. Bonds4

About (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide

(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide (PubChem CID 142913315) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide
PubChem CID142913315
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide
SMILESC/C=C(\C)C(=O)Nc1ccc(CCC)c(C)c1
InChIInChI=1S/C15H21NO/c1-5-7-13-8-9-14(10-12(13)4)16-15(17)11(3)6-2/h6,8-10H,5,7H2,1-4H3,(H,16,17)/b11-6+
InChIKeyASHNEXBFIVAUEA-IZZDOVSWSA-N
XLogP3.85
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 ≤ 53.85
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

1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
(3-methyl-4-tridecylphenyl)urea
CID 59703142
N-[3-methyl-4-(2-methylsulfonylethyl)phenyl]acetamide
CID 70828816
3-methyl-N-[4-(4-methyl-3-propylphenyl)but-1-en-2-yl]-4-propylaniline
CID 167073155
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
3-methyl-N-phenyl-4-propylaniline
CID 24977147
4-(3,4-dimethylanilino)-3-methyl-4-oxobut-2-enoate
CID 7157944
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
2-(ethylamino)-N-(4-ethyl-3-methylphenyl)-2-methylpropanamide
CID 114250279
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide?
The IUPAC name of (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide (CID 142913315) is (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide is C/C=C(\C)C(=O)Nc1ccc(CCC)c(C)c1.
What is the InChIKey of (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide?
The InChIKey is ASHNEXBFIVAUEA-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-7-13-8-9-14(10-12(13)4)16-15(17)11(3)6-2/h6,8-10H,5,7H2,1-4H3,(H,16,17)/b11-6+.
What are the key properties of (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide?
(E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(3-methyl-4-propylphenyl)but-2-enamide is sourced from PubChem (CID 142913315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).