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

C22H26N2O — CID 7209886

IUPACcis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
SMILESCCCCCC(=NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-3-6-15-21(18-13-9-5-10-14-18)23-24-22(25)20-16-19(20)17-11-7-4-8-12-17/h4-5,7-14,19-20H,2-3,6,15-16H2,1H3,(H,24,25)/t19-,20-/m0/s1
InChIKeyFRDPGPVSIMVSIM-PMACEKPBSA-N
MW334.46 g/mol
LogP4.89
Rot. Bonds8

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

cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide (PubChem CID 7209886) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
PubChem CID7209886
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Namecis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
SMILESCCCCCC(=NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-3-6-15-21(18-13-9-5-10-14-18)23-24-22(25)20-16-19(20)17-11-7-4-8-12-17/h4-5,7-14,19-20H,2-3,6,15-16H2,1H3,(H,24,25)/t19-,20-/m0/s1
InChIKeyFRDPGPVSIMVSIM-PMACEKPBSA-N
XLogP4.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
CID 7224859
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 904155
cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
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
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
CID 2218274
trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135920731
N-(1-phenylpentylideneamino)octanamide
CID 4676930
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
trans-(1R,2R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide (CID 7209886) is cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide is CCCCCC(=NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide?
The InChIKey is FRDPGPVSIMVSIM-PMACEKPBSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-3-6-15-21(18-13-9-5-10-14-18)23-24-22(25)20-16-19(20)17-11-7-4-8-12-17/h4-5,7-14,19-20H,2-3,6,15-16H2,1H3,(H,24,25)/t19-,20-/m0/s1.
What are the key properties of cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 7209886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).