3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide

C23H30N2O — CID 5015585

IUPAC3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
SMILESCCN(CC)c1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O/c1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5/h8-17H,6-7H2,1-5H3,(H,24,26)
InChIKeyYTOLOCICKSCVJR-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.48
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide

3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide (PubChem CID 5015585) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
PubChem CID5015585
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
SMILESCCN(CC)c1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O/c1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5/h8-17H,6-7H2,1-5H3,(H,24,26)
InChIKeyYTOLOCICKSCVJR-UHFFFAOYSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
N-[4-(diethylamino)phenyl]-3-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 4523010
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(E)-N-(4-tert-butylphenyl)-3-(4-methylsulfonylphenyl)prop-2-enamide
CID 6139845
(E)-N-[4-(diethylamino)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46410099
(E)-3-(3-bromo-4-methoxyphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 1183447
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide (CID 5015585) is 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide is CCN(CC)c1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide?
The InChIKey is YTOLOCICKSCVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5/h8-17H,6-7H2,1-5H3,(H,24,26).
What are the key properties of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide?
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide has a molecular weight of 350.51 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 5015585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).