trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide

C18H18N2O2 — CID 129440464

IUPACtrans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide
SMILESCO[C@]1(c2ccccc2)C[C@H]1C(=O)NN=Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-22-18(15-10-6-3-7-11-15)12-16(18)17(21)20-19-13-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,20,21)/t16-,18-/m0/s1
InChIKeySVJGIPSBCMGCES-WMZOPIPTSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds5

About trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide (PubChem CID 129440464) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide
PubChem CID129440464
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nametrans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide
SMILESCO[C@]1(c2ccccc2)C[C@H]1C(=O)NN=Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-22-18(15-10-6-3-7-11-15)12-16(18)17(21)20-19-13-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,20,21)/t16-,18-/m0/s1
InChIKeySVJGIPSBCMGCES-WMZOPIPTSA-N
XLogP2.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-ethoxy-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7241718
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide
CID 7628451
2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 162647013
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 16760798
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3683774
2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 4177056
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 2837311
(1S)-N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7037543
(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 135571945

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide (CID 129440464) is trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide is CO[C@]1(c2ccccc2)C[C@H]1C(=O)NN=Cc1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide?
The InChIKey is SVJGIPSBCMGCES-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-18(15-10-6-3-7-11-15)12-16(18)17(21)20-19-13-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,20,21)/t16-,18-/m0/s1.
What are the key properties of trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 129440464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).