(E)-N-(3-tert-butylphenyl)pent-2-enamide

C15H21NO — CID 142913235

IUPAC(E)-N-(3-tert-butylphenyl)pent-2-enamide
SMILESCC/C=C/C(=O)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H21NO/c1-5-6-10-14(17)16-13-9-7-8-12(11-13)15(2,3)4/h6-11H,5H2,1-4H3,(H,16,17)/b10-6+
InChIKeyIMSNDNGVISFUPZ-UXBLZVDNSA-N
MW231.34 g/mol
LogP3.89
Rot. Bonds3

About (E)-N-(3-tert-butylphenyl)pent-2-enamide

(E)-N-(3-tert-butylphenyl)pent-2-enamide (PubChem CID 142913235) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-N-(3-tert-butylphenyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-tert-butylphenyl)pent-2-enamide
PubChem CID142913235
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-N-(3-tert-butylphenyl)pent-2-enamide
SMILESCC/C=C/C(=O)Nc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H21NO/c1-5-6-10-14(17)16-13-9-7-8-12(11-13)15(2,3)4/h6-11H,5H2,1-4H3,(H,16,17)/b10-6+
InChIKeyIMSNDNGVISFUPZ-UXBLZVDNSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.89
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-(3-aminophenyl)pent-2-enamide
CID 123923542
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 57294519
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
5-[(3-tert-butylphenyl)carbamoylamino]benzene-1,3-dicarboxylic acid
CID 70846934
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729
O-methyl N-(3-tert-butylphenyl)carbamothioate
CID 4091377
1-(3-tert-butylphenyl)-3-(2-chloroethyl)urea
CID 58646068
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-tert-butylphenyl)pent-2-enamide?
The IUPAC name of (E)-N-(3-tert-butylphenyl)pent-2-enamide (CID 142913235) is (E)-N-(3-tert-butylphenyl)pent-2-enamide.
What is the SMILES notation for (E)-N-(3-tert-butylphenyl)pent-2-enamide?
The canonical SMILES for (E)-N-(3-tert-butylphenyl)pent-2-enamide is CC/C=C/C(=O)Nc1cccc(C(C)(C)C)c1.
What is the InChIKey of (E)-N-(3-tert-butylphenyl)pent-2-enamide?
The InChIKey is IMSNDNGVISFUPZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-6-10-14(17)16-13-9-7-8-12(11-13)15(2,3)4/h6-11H,5H2,1-4H3,(H,16,17)/b10-6+.
What are the key properties of (E)-N-(3-tert-butylphenyl)pent-2-enamide?
(E)-N-(3-tert-butylphenyl)pent-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-tert-butylphenyl)pent-2-enamide is sourced from PubChem (CID 142913235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).