4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide

C26H26N2O2 — CID 2173598

IUPAC4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H26N2O2/c1-26(2,3)21-12-10-20(11-13-21)25(30)28-23-16-14-22(15-17-23)27-24(29)18-9-19-7-5-4-6-8-19/h4-18H,1-3H3,(H,27,29)(H,28,30)/b18-9+
InChIKeyCFIRTTQWECLCHK-GIJQJNRQSA-N
MW398.51 g/mol
LogP5.89
Rot. Bonds5

About 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide

4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide (PubChem CID 2173598) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
PubChem CID2173598
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H26N2O2/c1-26(2,3)21-12-10-20(11-13-21)25(30)28-23-16-14-22(15-17-23)27-24(29)18-9-19-7-5-4-6-8-19/h4-18H,1-3H3,(H,27,29)(H,28,30)/b18-9+
InChIKeyCFIRTTQWECLCHK-GIJQJNRQSA-N
XLogP5.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322
4-tert-butyl-N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17234965
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
4-tert-butyl-N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 17195607
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide (CID 2173598) is 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide?
The InChIKey is CFIRTTQWECLCHK-GIJQJNRQSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-26(2,3)21-12-10-20(11-13-21)25(30)28-23-16-14-22(15-17-23)27-24(29)18-9-19-7-5-4-6-8-19/h4-18H,1-3H3,(H,27,29)(H,28,30)/b18-9+.
What are the key properties of 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide?
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide has a molecular weight of 398.51 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide is sourced from PubChem (CID 2173598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).