(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

C25H24N2O2 — CID 135571945

IUPAC(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C25H24N2O2/c1-17-5-3-7-20(13-17)25(21-8-4-6-18(2)14-21)15-23(25)24(29)27-26-16-19-9-11-22(28)12-10-19/h3-14,16,23,28H,15H2,1-2H3,(H,27,29)/b26-16+/t23-/m0/s1
InChIKeyYNJRXZIUEITEDK-LRULAXNGSA-N
MW384.48 g/mol
LogP4.47
Rot. Bonds5

About (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 135571945) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID135571945
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C25H24N2O2/c1-17-5-3-7-20(13-17)25(21-8-4-6-18(2)14-21)15-23(25)24(29)27-26-16-19-9-11-22(28)12-10-19/h3-14,16,23,28H,15H2,1-2H3,(H,27,29)/b26-16+/t23-/m0/s1
InChIKeyYNJRXZIUEITEDK-LRULAXNGSA-N
XLogP4.47
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.47
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'}

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Related Compounds

2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135627948
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
(1S)-N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136863953
(1S)-N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135748102
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 4177056
(1R)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033256
N-(2-fluorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 2895062
(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7034112
(1S)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 6894206

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (CID 135571945) is (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc(O)cc2)c1.
What is the InChIKey of (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is YNJRXZIUEITEDK-LRULAXNGSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17-5-3-7-20(13-17)25(21-8-4-6-18(2)14-21)15-23(25)24(29)27-26-16-19-9-11-22(28)12-10-19/h3-14,16,23,28H,15H2,1-2H3,(H,27,29)/b26-16+/t23-/m0/s1.
What are the key properties of (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135571945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).