N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide

C16H23NO2 — CID 2791771

IUPACN-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-5-12-19-14-9-6-13(7-10-14)8-11-15(18)17-16(2,3)4/h6-11H,5,12H2,1-4H3,(H,17,18)
InChIKeyWFNKSSBEFSTZFZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.40
Rot. Bonds5

About N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide

N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 2791771) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID2791771
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H23NO2/c1-5-12-19-14-9-6-13(7-10-14)8-11-15(18)17-16(2,3)4/h6-11H,5,12H2,1-4H3,(H,17,18)
InChIKeyWFNKSSBEFSTZFZ-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
(E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 82354335
3-[4-(4-propoxyphenyl)phenyl]prop-2-enoic acid
CID 67745559
(E)-1-(4-methylphenyl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 22971976
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854
(E)-N-tert-butyl-3-(4-fluorophenyl)prop-2-enamide
CID 923522
4-[(E)-3-oxo-3-(4-propoxyphenyl)prop-1-enyl]benzoate
CID 8828157
methyl 4-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]benzoate
CID 7987964

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide (CID 2791771) is N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(C=CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is WFNKSSBEFSTZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-12-19-14-9-6-13(7-10-14)8-11-15(18)17-16(2,3)4/h6-11H,5,12H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide?
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2791771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).