cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

C20H22N2O — CID 40555202

IUPACcis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H22N2O/c1-13-9-10-17(11-14(13)2)15(3)21-22-20(23)19-12-18(19)16-7-5-4-6-8-16/h4-11,18-19H,12H2,1-3H3,(H,22,23)/b21-15-/t18-,19-/m1/s1
InChIKeyVEBHSGXYFKPBGH-RBMXQFEISA-N
MW306.41 g/mol
LogP3.95
Rot. Bonds4

About cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 40555202) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID40555202
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Namecis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H22N2O/c1-13-9-10-17(11-14(13)2)15(3)21-22-20(23)19-12-18(19)16-7-5-4-6-8-16/h4-11,18-19H,12H2,1-3H3,(H,22,23)/b21-15-/t18-,19-/m1/s1
InChIKeyVEBHSGXYFKPBGH-RBMXQFEISA-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

trans-(1S,2S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7296073
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
cis-(1S,2R)-N-[(Z)-1-(3,4-dihydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136668784
cis-(1R,2S)-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7428350
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135593441
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-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906
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

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 40555202) is cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VEBHSGXYFKPBGH-RBMXQFEISA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-9-10-17(11-14(13)2)15(3)21-22-20(23)19-12-18(19)16-7-5-4-6-8-16/h4-11,18-19H,12H2,1-3H3,(H,22,23)/b21-15-/t18-,19-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(Z)-1-(3,4-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 cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 40555202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).