trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

C20H22N2O — CID 73346356

IUPACtrans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(C)c1C
InChIInChI=1S/C20H22N2O/c1-13-8-7-11-17(14(13)2)15(3)21-22-20(23)19-12-18(19)16-9-5-4-6-10-16/h4-11,18-19H,12H2,1-3H3,(H,22,23)/b21-15+/t18-,19+/m0/s1
InChIKeyNWLWYGWIJCPAGJ-CDDVYSJNSA-N
MW306.41 g/mol
LogP3.95
Rot. Bonds4

About trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 73346356) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID73346356
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Nametrans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(C)c1C
InChIInChI=1S/C20H22N2O/c1-13-8-7-11-17(14(13)2)15(3)21-22-20(23)19-12-18(19)16-9-5-4-6-10-16/h4-11,18-19H,12H2,1-3H3,(H,22,23)/b21-15+/t18-,19+/m0/s1
InChIKeyNWLWYGWIJCPAGJ-CDDVYSJNSA-N
XLogP3.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
4-(4-methylbenzyl)-6-(4-methylphenyl)-3(2H)-pyridazinone
CID 2811843
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N-(1,3-diphenylpropan-2-ylideneamino)cyclopropanecarboxamide
CID 4175602
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-[(1E)-1-(3,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 5334232
N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
CID 6384615
N'-[(1E)-1-(4-tert-butylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 9649118
3-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5879645
N'-(1-methyl-3-phenylpropylidene)bicyclo[4.1.0]heptane-7-carbohydrazide
CID 6049016
N'-[1-(2,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
CID 9563317

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 73346356) is trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(C)c1C.
What is the InChIKey of trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is NWLWYGWIJCPAGJ-CDDVYSJNSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-8-7-11-17(14(13)2)15(3)21-22-20(23)19-12-18(19)16-9-5-4-6-10-16/h4-11,18-19H,12H2,1-3H3,(H,22,23)/b21-15+/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 73346356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).