(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide

C15H21NO — CID 110470259

IUPAC(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-5-6-14(17)16-11-12-7-9-13(10-8-12)15(2,3)4/h5-10H,11H2,1-4H3,(H,16,17)/b6-5+
InChIKeyPNFRWFLLITZVNB-AATRIKPKSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds3

About (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide

(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide (PubChem CID 110470259) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
PubChem CID110470259
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21NO/c1-5-6-14(17)16-11-12-7-9-13(10-8-12)15(2,3)4/h5-10H,11H2,1-4H3,(H,16,17)/b6-5+
InChIKeyPNFRWFLLITZVNB-AATRIKPKSA-N
XLogP3.18
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 ≤ 53.18
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

(E)-N-[(4-methylsulfanylphenyl)methyl]but-2-enamide
CID 110470228
(E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide
CID 110465692
(E)-N-[[4-(4-fluorophenoxy)phenyl]methyl]but-2-enamide
CID 78915403
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
(E)-N-(1,3-benzodioxol-5-ylmethyl)but-2-enamide
CID 70328335
(E)-3-(4-tert-butylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]prop-2-enamide
CID 108759256
(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
CID 131243847
(E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide
CID 127126119

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide?
The IUPAC name of (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide (CID 110470259) is (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide is C/C=C/C(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide?
The InChIKey is PNFRWFLLITZVNB-AATRIKPKSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-6-14(17)16-11-12-7-9-13(10-8-12)15(2,3)4/h5-10H,11H2,1-4H3,(H,16,17)/b6-5+.
What are the key properties of (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide?
(E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-tert-butylphenyl)methyl]but-2-enamide is sourced from PubChem (CID 110470259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).