3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide

C26H31NO2 — CID 68654568

IUPAC3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide
SMILESCC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C=CC(N)=O)cc2)CC(C)(C)C1
InChIInChI=1S/C26H31NO2/c1-25(2)15-21(16-26(3,4)17-25)24(20-10-12-22(28)13-11-20)19-8-5-18(6-9-19)7-14-23(27)29/h5-14,28H,15-17H2,1-4H3,(H2,27,29)
InChIKeyNNFCEKYJMMYGOD-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.93
Rot. Bonds4

About 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide

3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide (PubChem CID 68654568) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide
PubChem CID68654568
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide
SMILESCC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C=CC(N)=O)cc2)CC(C)(C)C1
InChIInChI=1S/C26H31NO2/c1-25(2)15-21(16-26(3,4)17-25)24(20-10-12-22(28)13-11-20)19-8-5-18(6-9-19)7-14-23(27)29/h5-14,28H,15-17H2,1-4H3,(H2,27,29)
InChIKeyNNFCEKYJMMYGOD-UHFFFAOYSA-N
XLogP5.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]phenyl]prop-2-enoic acid
CID 68654469
ethyl 3-[4-[(3-chloro-4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enoate
CID 68976427
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
methyl 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]propanoate
CID 68654562
ethyl 3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate
CID 75146663
acetic acid;3-(4-acetylphenyl)prop-2-enamide
CID 175181173
tert-butyl 2-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]pyrrole-1-carboxylate
CID 68654540
methyl 4-[(E)-3-amino-3-oxoprop-1-enyl]benzoate
CID 82040602
tert-butyl (E)-3-[4-[cycloheptylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate
CID 68977222
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide?
The IUPAC name of 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide (CID 68654568) is 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide is CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C=CC(N)=O)cc2)CC(C)(C)C1.
What is the InChIKey of 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide?
The InChIKey is NNFCEKYJMMYGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-25(2)15-21(16-26(3,4)17-25)24(20-10-12-22(28)13-11-20)19-8-5-18(6-9-19)7-14-23(27)29/h5-14,28H,15-17H2,1-4H3,(H2,27,29).
What are the key properties of 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide?
3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide has a molecular weight of 389.54 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-hydroxyphenyl)-(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 68654568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).