N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide

C13H17NO — CID 177272489

IUPACN-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc(C)c1C(C)C
InChIInChI=1S/C13H17NO/c1-5-12(15)14-11-8-6-7-10(4)13(11)9(2)3/h5-9H,1H2,2-4H3,(H,14,15)
InChIKeyWXNBOIGCRPCESB-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.24
Rot. Bonds3

About N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide

N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide (PubChem CID 177272489) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide
PubChem CID177272489
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cccc(C)c1C(C)C
InChIInChI=1S/C13H17NO/c1-5-12(15)14-11-8-6-7-10(4)13(11)9(2)3/h5-9H,1H2,2-4H3,(H,14,15)
InChIKeyWXNBOIGCRPCESB-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
CID 122415346
ethane;2-fluoro-N-(3-propan-2-ylphenyl)prop-2-enamide;N-(3-fluoro-2-propan-2-ylphenyl)prop-2-enamide
CID 178056928
N-[2-[[2-(prop-2-enoylamino)phenyl]disulfanyl]phenyl]prop-2-enamide
CID 91082426
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
N-(2-propan-2-ylphenyl)-3-[[2-propan-2-yl-3-(prop-2-enoylamino)phenyl]methyliodanuidyl]prop-2-ynamide
CID 176982197
N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide
CID 118029225
N-(3-chloro-2-propan-2-ylsulfonylphenyl)prop-2-enamide
CID 166414345
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
(3-chloro-2-propan-2-ylphenyl)carbamic acid
CID 22078489

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide (CID 177272489) is N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide is C=CC(=O)Nc1cccc(C)c1C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is WXNBOIGCRPCESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-5-12(15)14-11-8-6-7-10(4)13(11)9(2)3/h5-9H,1H2,2-4H3,(H,14,15).
What are the key properties of N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide?
N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 177272489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).