(E)-N-(4-butylphenyl)-2-methylpent-2-enamide

C16H23NO — CID 142913201

IUPAC(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1ccc(CCCC)cc1
InChIInChI=1S/C16H23NO/c1-4-6-8-14-9-11-15(12-10-14)17-16(18)13(3)7-5-2/h7,9-12H,4-6,8H2,1-3H3,(H,17,18)/b13-7+
InChIKeyUTSOBBYHKRLBFS-NTUHNPAUSA-N
MW245.37 g/mol
LogP4.32
Rot. Bonds6

About (E)-N-(4-butylphenyl)-2-methylpent-2-enamide

(E)-N-(4-butylphenyl)-2-methylpent-2-enamide (PubChem CID 142913201) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N-(4-butylphenyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
PubChem CID142913201
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)Nc1ccc(CCCC)cc1
InChIInChI=1S/C16H23NO/c1-4-6-8-14-9-11-15(12-10-14)17-16(18)13(3)7-5-2/h7,9-12H,4-6,8H2,1-3H3,(H,17,18)/b13-7+
InChIKeyUTSOBBYHKRLBFS-NTUHNPAUSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.32
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,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide
CID 54298724
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
N'-(4-dodecylphenyl)oxamide
CID 118096540
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-butylphenyl)-2-methylpent-2-enamide?
The IUPAC name of (E)-N-(4-butylphenyl)-2-methylpent-2-enamide (CID 142913201) is (E)-N-(4-butylphenyl)-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(4-butylphenyl)-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-(4-butylphenyl)-2-methylpent-2-enamide is CC/C=C(\C)C(=O)Nc1ccc(CCCC)cc1.
What is the InChIKey of (E)-N-(4-butylphenyl)-2-methylpent-2-enamide?
The InChIKey is UTSOBBYHKRLBFS-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-6-8-14-9-11-15(12-10-14)17-16(18)13(3)7-5-2/h7,9-12H,4-6,8H2,1-3H3,(H,17,18)/b13-7+.
What are the key properties of (E)-N-(4-butylphenyl)-2-methylpent-2-enamide?
(E)-N-(4-butylphenyl)-2-methylpent-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-butylphenyl)-2-methylpent-2-enamide is sourced from PubChem (CID 142913201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).