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

C19H20N2O — CID 73356996

IUPACtrans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C19H20N2O/c1-13-7-6-10-16(11-13)14(2)20-21-19(22)18-12-17(18)15-8-4-3-5-9-15/h3-11,17-18H,12H2,1-2H3,(H,21,22)/b20-14+/t17-,18+/m0/s1
InChIKeyAACQGPALHLAWFZ-TZGKDVFTSA-N
MW292.38 g/mol
LogP3.64
Rot. Bonds4

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

trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 73356996) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID73356996
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Nametrans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C19H20N2O/c1-13-7-6-10-16(11-13)14(2)20-21-19(22)18-12-17(18)15-8-4-3-5-9-15/h3-11,17-18H,12H2,1-2H3,(H,21,22)/b20-14+/t17-,18+/m0/s1
InChIKeyAACQGPALHLAWFZ-TZGKDVFTSA-N
XLogP3.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.64
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'}

Analyze trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-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

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
3-Phenyl-5-pyrazolone
CID 78577
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
2,2-dimethyl-N'-(4-phenylcyclohexylidene)propanehydrazide
CID 24819039
3-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5879645

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 73356996) is trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(C)c1.
What is the InChIKey of trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is AACQGPALHLAWFZ-TZGKDVFTSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-7-6-10-16(11-13)14(2)20-21-19(22)18-12-17(18)15-8-4-3-5-9-15/h3-11,17-18H,12H2,1-2H3,(H,21,22)/b20-14+/t17-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.64, 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-(3-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 73356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).