trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide

C21H24N2O2 — CID 135851314

IUPACtrans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)16-8-6-15(7-9-16)18-12-19(18)20(25)23-22-13-14-4-10-17(24)11-5-14/h4-11,13,18-19,24H,12H2,1-3H3,(H,23,25)/b22-13+/t18-,19+/m0/s1
InChIKeyJADDGTMWLWPGFM-NURUNYDYSA-N
MW336.44 g/mol
LogP3.94
Rot. Bonds4

About trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide (PubChem CID 135851314) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
PubChem CID135851314
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Nametrans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)16-8-6-15(7-9-16)18-12-19(18)20(25)23-22-13-14-4-10-17(24)11-5-14/h4-11,13,18-19,24H,12H2,1-3H3,(H,23,25)/b22-13+/t18-,19+/m0/s1
InChIKeyJADDGTMWLWPGFM-NURUNYDYSA-N
XLogP3.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide (CID 135851314) is trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide is CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is JADDGTMWLWPGFM-NURUNYDYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2,3)16-8-6-15(7-9-16)18-12-19(18)20(25)23-22-13-14-4-10-17(24)11-5-14/h4-11,13,18-19,24H,12H2,1-3H3,(H,23,25)/b22-13+/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 135851314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).