trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide

C22H26N2O2 — CID 7260166

IUPACtrans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
SMILESCC(/C=C/c1ccco1)=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O2/c1-15(7-12-18-6-5-13-26-18)23-24-21(25)20-14-19(20)16-8-10-17(11-9-16)22(2,3)4/h5-13,19-20H,14H2,1-4H3,(H,24,25)/b12-7+,23-15+/t19-,20+/m0/s1
InChIKeyODDYFEWEQQSEMN-IEZXIDQVSA-N
MW350.46 g/mol
LogP4.89
Rot. Bonds5

About trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide (PubChem CID 7260166) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
PubChem CID7260166
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Nametrans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
SMILESCC(/C=C/c1ccco1)=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O2/c1-15(7-12-18-6-5-13-26-18)23-24-21(25)20-14-19(20)16-8-10-17(11-9-16)22(2,3)4/h5-13,19-20H,14H2,1-4H3,(H,24,25)/b12-7+,23-15+/t19-,20+/m0/s1
InChIKeyODDYFEWEQQSEMN-IEZXIDQVSA-N
XLogP4.89
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.89
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

cis-(1R,2S)-N-[[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-2-phenylcyclopropane-1-carboxamide
CID 129440919
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
CID 129440322
cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
CID 129439751
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 7334337
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442
trans-(1R,2R)-N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 739752
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 40558862
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclopropane-1-carboxamide
CID 7334379
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
cis-(1R,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 51418117
2-(4-tert-butylphenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 6030425
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(2-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 40531830

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide (CID 7260166) is trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide is CC(/C=C/c1ccco1)=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide?
The InChIKey is ODDYFEWEQQSEMN-IEZXIDQVSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(7-12-18-6-5-13-26-18)23-24-21(25)20-14-19(20)16-8-10-17(11-9-16)22(2,3)4/h5-13,19-20H,14H2,1-4H3,(H,24,25)/b12-7+,23-15+/t19-,20+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 7260166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).