cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide

C18H18N2O — CID 129439028

IUPACcis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
SMILESCC(=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13(14-8-4-2-5-9-14)19-20-18(21)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyJXUXFHOGOOEHQR-IAGOWNOFSA-N
MW278.36 g/mol
LogP3.33
Rot. Bonds4

About cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide

cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide (PubChem CID 129439028) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
PubChem CID129439028
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Namecis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
SMILESCC(=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-13(14-8-4-2-5-9-14)19-20-18(21)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyJXUXFHOGOOEHQR-IAGOWNOFSA-N
XLogP3.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.33
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

2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
trans-(1R,2R)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522727
cis-(1R,2S)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522725
trans-(1R,2R)-N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353905
2-phenyl-N-[1-(4-propan-2-ylphenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 4112006
cis-(1R,2S)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]cyclopropane-1-carboxamide
CID 40540652
trans-(1R,2R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906
trans-(1S,2S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7296073
cis-(1S,2R)-N-[(Z)-1-(3,4-dihydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136668784
cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40555202
cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide (CID 129439028) is cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide is CC(=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide?
The InChIKey is JXUXFHOGOOEHQR-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(14-8-4-2-5-9-14)19-20-18(21)17-12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3,(H,20,21)/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 129439028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).