trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide

C19H20N2O — CID 904155

IUPACtrans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
SMILESCCC(=NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-2-18(15-11-7-4-8-12-15)20-21-19(22)17-13-16(17)14-9-5-3-6-10-14/h3-12,16-17H,2,13H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyXFJWPTFFMXCMNW-DLBZAZTESA-N
MW292.38 g/mol
LogP3.72
Rot. Bonds5

About trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide

trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide (PubChem CID 904155) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
PubChem CID904155
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Nametrans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
SMILESCCC(=NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-2-18(15-11-7-4-8-12-15)20-21-19(22)17-13-16(17)14-9-5-3-6-10-14/h3-12,16-17H,2,13H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyXFJWPTFFMXCMNW-DLBZAZTESA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.72
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

cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
CID 7224859
cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
CID 7209886
cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135920731
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 5069125
trans-(1R,2R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
CID 40524833
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide (CID 904155) is trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide is CCC(=NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide?
The InChIKey is XFJWPTFFMXCMNW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-18(15-11-7-4-8-12-15)20-21-19(22)17-13-16(17)14-9-5-3-6-10-14/h3-12,16-17H,2,13H2,1H3,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 904155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).