N-(5-tert-butyl-2-methylphenyl)prop-2-enamide

C14H19NO — CID 139406926

IUPACN-(5-tert-butyl-2-methylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C14H19NO/c1-6-13(16)15-12-9-11(14(3,4)5)8-7-10(12)2/h6-9H,1H2,2-5H3,(H,15,16)
InChIKeyLBWCVBIAMPPALW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.42
Rot. Bonds2

About N-(5-tert-butyl-2-methylphenyl)prop-2-enamide

N-(5-tert-butyl-2-methylphenyl)prop-2-enamide (PubChem CID 139406926) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methylphenyl)prop-2-enamide
PubChem CID139406926
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(5-tert-butyl-2-methylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C14H19NO/c1-6-13(16)15-12-9-11(14(3,4)5)8-7-10(12)2/h6-9H,1H2,2-5H3,(H,15,16)
InChIKeyLBWCVBIAMPPALW-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 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 ≤ 53.42
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-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide
CID 159844631
2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid
CID 82501431
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
3-(4-tert-butylphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 4161099
N-(4-iodo-2-methylphenyl)prop-2-enamide
CID 43425771
N-(4-bromo-2-methylphenyl)prop-2-enamide
CID 43134251
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
CID 115182511
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
CID 177364720
CID 177364720
N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
CID 43696159

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methylphenyl)prop-2-enamide?
The IUPAC name of N-(5-tert-butyl-2-methylphenyl)prop-2-enamide (CID 139406926) is N-(5-tert-butyl-2-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(5-tert-butyl-2-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(5-tert-butyl-2-methylphenyl)prop-2-enamide is C=CC(=O)Nc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of N-(5-tert-butyl-2-methylphenyl)prop-2-enamide?
The InChIKey is LBWCVBIAMPPALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-6-13(16)15-12-9-11(14(3,4)5)8-7-10(12)2/h6-9H,1H2,2-5H3,(H,15,16).
What are the key properties of N-(5-tert-butyl-2-methylphenyl)prop-2-enamide?
N-(5-tert-butyl-2-methylphenyl)prop-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 139406926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).