trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide

C20H22N2O — CID 7224859

IUPACtrans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
SMILESCCCC(=NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-2-9-19(16-12-7-4-8-13-16)21-22-20(23)18-14-17(18)15-10-5-3-6-11-15/h3-8,10-13,17-18H,2,9,14H2,1H3,(H,22,23)/t17-,18+/m1/s1
InChIKeyKFKMLSMRHRNXER-MSOLQXFVSA-N
MW306.41 g/mol
LogP4.11
Rot. Bonds6

About trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide

trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide (PubChem CID 7224859) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
PubChem CID7224859
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Nametrans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
SMILESCCCC(=NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-2-9-19(16-12-7-4-8-13-16)21-22-20(23)18-14-17(18)15-10-5-3-6-11-15/h3-8,10-13,17-18H,2,9,14H2,1H3,(H,22,23)/t17-,18+/m1/s1
InChIKeyKFKMLSMRHRNXER-MSOLQXFVSA-N
XLogP4.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.11
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-phenylhexylideneamino)cyclopropane-1-carboxamide
CID 7209886
cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 904155
N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 5069125
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-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135920731
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
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide (CID 7224859) is trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide is CCCC(=NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide?
The InChIKey is KFKMLSMRHRNXER-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-9-19(16-12-7-4-8-13-16)21-22-20(23)18-14-17(18)15-10-5-3-6-11-15/h3-8,10-13,17-18H,2,9,14H2,1H3,(H,22,23)/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 7224859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).