2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide

C13H17NO — CID 86076819

IUPAC2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C13H17NO/c1-9(2)11-7-5-6-8-12(11)14-13(15)10(3)4/h5-9H,3H2,1-2,4H3,(H,14,15)
InChIKeyKCDLAUQYVGZSDF-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.32
Rot. Bonds3

About 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide

2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide (PubChem CID 86076819) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
PubChem CID86076819
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C13H17NO/c1-9(2)11-7-5-6-8-12(11)14-13(15)10(3)4/h5-9H,3H2,1-2,4H3,(H,14,15)
InChIKeyKCDLAUQYVGZSDF-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.32
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-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
(2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide
CID 146269453
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide (CID 86076819) is 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide is C=C(C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is KCDLAUQYVGZSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)11-7-5-6-8-12(11)14-13(15)10(3)4/h5-9H,3H2,1-2,4H3,(H,14,15).
What are the key properties of 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide?
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 86076819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).