3-(2-tert-butylphenyl)-2-methylprop-2-enamide

C14H19NO — CID 163362591

IUPAC3-(2-tert-butylphenyl)-2-methylprop-2-enamide
SMILESCC(=Cc1ccccc1C(C)(C)C)C(N)=O
InChIInChI=1S/C14H19NO/c1-10(13(15)16)9-11-7-5-6-8-12(11)14(2,3)4/h5-9H,1-4H3,(H2,15,16)
InChIKeyNAPNCAMNOHXVQV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.87
Rot. Bonds2

About 3-(2-tert-butylphenyl)-2-methylprop-2-enamide

3-(2-tert-butylphenyl)-2-methylprop-2-enamide (PubChem CID 163362591) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(2-tert-butylphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name3-(2-tert-butylphenyl)-2-methylprop-2-enamide
PubChem CID163362591
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(2-tert-butylphenyl)-2-methylprop-2-enamide
SMILESCC(=Cc1ccccc1C(C)(C)C)C(N)=O
InChIInChI=1S/C14H19NO/c1-10(13(15)16)9-11-7-5-6-8-12(11)14(2,3)4/h5-9H,1-4H3,(H2,15,16)
InChIKeyNAPNCAMNOHXVQV-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.87
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)-3-[3-(2-amino-1-hydroxy-2-oxo-1-phenylethyl)-2-ethenylphenyl]-2-methylprop-2-enamide
CID 171058554
3-[2-(2-aminobenzoyl)phenyl]-2-methylprop-2-enamide
CID 73431531
(E)-3-(2-tert-butylphenyl)-N-(diaminomethylidene)prop-2-enamide
CID 11481971
3-(3-aminonaphthalen-2-yl)-2-methylprop-2-enamide
CID 70213077
(2-tert-butylphenyl)-deuteriomethanone
CID 58810547
tert-butyl (E)-3-(2-tert-butylphenyl)prop-2-enoate
CID 89085119
(2R)-2-amino-2-(2-ethenylphenyl)propanoic acid
CID 130657894
3-(4-iodophenyl)-2-methylprop-2-enamide
CID 70292207
(2-tert-butyl-6-ethenylphenyl) acetate
CID 10704049
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]-2-methylprop-2-enoic acid
CID 56992584
(E)-2-methyl-3-(3-phenylphenyl)prop-2-enamide
CID 127034031

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenyl)-2-methylprop-2-enamide?
The IUPAC name of 3-(2-tert-butylphenyl)-2-methylprop-2-enamide (CID 163362591) is 3-(2-tert-butylphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for 3-(2-tert-butylphenyl)-2-methylprop-2-enamide?
The canonical SMILES for 3-(2-tert-butylphenyl)-2-methylprop-2-enamide is CC(=Cc1ccccc1C(C)(C)C)C(N)=O.
What is the InChIKey of 3-(2-tert-butylphenyl)-2-methylprop-2-enamide?
The InChIKey is NAPNCAMNOHXVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(13(15)16)9-11-7-5-6-8-12(11)14(2,3)4/h5-9H,1-4H3,(H2,15,16).
What are the key properties of 3-(2-tert-butylphenyl)-2-methylprop-2-enamide?
3-(2-tert-butylphenyl)-2-methylprop-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 163362591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).