(E)-3-(4-tert-butylphenyl)prop-2-enamide

C13H17NO — CID 47130646

IUPAC(E)-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(N)=O)cc1
InChIInChI=1S/C13H17NO/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3,(H2,14,15)/b9-6+
InChIKeyQEBRXZNDCHCQDS-RMKNXTFCSA-N
MW203.28 g/mol
LogP2.48
Rot. Bonds2

About (E)-3-(4-tert-butylphenyl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)prop-2-enamide (PubChem CID 47130646) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)prop-2-enamide
PubChem CID47130646
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(N)=O)cc1
InChIInChI=1S/C13H17NO/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3,(H2,14,15)/b9-6+
InChIKeyQEBRXZNDCHCQDS-RMKNXTFCSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.48
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

3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
4-(4-tert-butylphenyl)-1-chlorobut-3-en-2-one
CID 77040337
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
CID 88913216
CID 88913216
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
acetic acid;3-(4-acetylphenyl)prop-2-enamide
CID 175181173
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
(E)-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enoic acid
CID 116991834
3-(4-tert-butylphenyl)-1-pyrrol-1-ylprop-2-en-1-one
CID 86023538

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)prop-2-enamide (CID 47130646) is (E)-3-(4-tert-butylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)prop-2-enamide is CC(C)(C)c1ccc(/C=C/C(N)=O)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)prop-2-enamide?
The InChIKey is QEBRXZNDCHCQDS-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3,(H2,14,15)/b9-6+.
What are the key properties of (E)-3-(4-tert-butylphenyl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)prop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)prop-2-enamide is sourced from PubChem (CID 47130646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).