N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide

C21H24BrNO — CID 168864442

IUPACN-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CCc1ccc(C(C)(C)C)cc1)c1ccccc1Br
InChIInChI=1S/C21H24BrNO/c1-5-20(24)23(19-9-7-6-8-18(19)22)15-14-16-10-12-17(13-11-16)21(2,3)4/h5-13H,1,14-15H2,2-4H3
InChIKeyBSICFBXETUADGF-UHFFFAOYSA-N
MW386.33 g/mol
LogP5.51
Rot. Bonds5

About N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide

N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide (PubChem CID 168864442) has the molecular formula C21H24BrNO and a molecular weight of 386.33 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide
PubChem CID168864442
Molecular FormulaC21H24BrNO
Molecular Weight386.33 g/mol
Exact Mass385.10
IUPAC NameN-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CCc1ccc(C(C)(C)C)cc1)c1ccccc1Br
InChIInChI=1S/C21H24BrNO/c1-5-20(24)23(19-9-7-6-8-18(19)22)15-14-16-10-12-17(13-11-16)21(2,3)4/h5-13H,1,14-15H2,2-4H3
InChIKeyBSICFBXETUADGF-UHFFFAOYSA-N
XLogP5.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.51
H-Bond Donors ≤ 50
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-(4-tert-butylphenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195005
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
1-[2-(4-tert-butylphenyl)ethyl]-1-isoquinolin-5-ylurea
CID 91562596
N-(2-bromophenyl)-N-ethyl-2-methylprop-2-enamide
CID 168864432
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
CID 94689627
1-bromo-2-[(4-tert-butylphenyl)methyl]benzene
CID 171716628
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide
CID 70111768
N-decyl-N-(2-phenylphenyl)prop-2-enamide
CID 172713254
tert-butyl N-(2-bromophenyl)-N-prop-2-ynylcarbamate
CID 16748153

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide?
The IUPAC name of N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide (CID 168864442) is N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide is C=CC(=O)N(CCc1ccc(C(C)(C)C)cc1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide?
The InChIKey is BSICFBXETUADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNO/c1-5-20(24)23(19-9-7-6-8-18(19)22)15-14-16-10-12-17(13-11-16)21(2,3)4/h5-13H,1,14-15H2,2-4H3.
What are the key properties of N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide?
N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide has a molecular weight of 386.33 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-[2-(4-tert-butylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 168864442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).