phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate

C23H27NO3 — CID 54707119

IUPACphenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate
SMILESC/C(C(=O)Oc1ccccc1)=C(O)\C(C)=C(/NC(C)(C)C)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-16(20(24-23(3,4)5)18-12-8-6-9-13-18)21(25)17(2)22(26)27-19-14-10-7-11-15-19/h6-15,24-25H,1-5H3/b20-16-,21-17-
InChIKeyABVZYVHZCXETKU-ISPAOBMBSA-N
MW365.47 g/mol
LogP5.24
Rot. Bonds5

About phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate

phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate (PubChem CID 54707119) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Namephenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate
PubChem CID54707119
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Namephenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate
SMILESC/C(C(=O)Oc1ccccc1)=C(O)\C(C)=C(/NC(C)(C)C)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-16(20(24-23(3,4)5)18-12-8-6-9-13-18)21(25)17(2)22(26)27-19-14-10-7-11-15-19/h6-15,24-25H,1-5H3/b20-16-,21-17-
InChIKeyABVZYVHZCXETKU-ISPAOBMBSA-N
XLogP5.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate 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

phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-4-methyl-5-phenylpenta-2,4-dienoate
CID 54705017
λ2-plumbane;phenyl 2-methyl-3-phenylbut-2-enoate
CID 173366495
CID 91296583
CID 91296583
diphenyl oxalate;ethane
CID 162013592
phenyl 2,3-dioxobutanoate
CID 125499632
phenyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754860
phenyl 2-amino-2-methylpropanoate
CID 22002021
N-tert-butyl-2-oxo-2-phenylacetamide
CID 10965642
phenyl 3,3-dichloro-2-methylidenebutanoate
CID 19901659
1-O-(2-fluoro-2-methylpropyl) 2-O-phenyl oxalate
CID 138664640
2-O-chloro 1-O-phenyl oxalate
CID 54251565
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463

Frequently Asked Questions

What is the IUPAC name of phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate?
The IUPAC name of phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate (CID 54707119) is phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate?
The canonical SMILES for phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate is C/C(C(=O)Oc1ccccc1)=C(O)\C(C)=C(/NC(C)(C)C)c1ccccc1.
What is the InChIKey of phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate?
The InChIKey is ABVZYVHZCXETKU-ISPAOBMBSA-N. The full InChI is InChI=1S/C23H27NO3/c1-16(20(24-23(3,4)5)18-12-8-6-9-13-18)21(25)17(2)22(26)27-19-14-10-7-11-15-19/h6-15,24-25H,1-5H3/b20-16-,21-17-.
What are the key properties of phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate?
phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate has a molecular weight of 365.47 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2Z,4Z)-5-(tert-butylamino)-3-hydroxy-2,4-dimethyl-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 54707119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).