cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide

C21H24N2O2 — CID 129440322

IUPACcis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NN=C/C=C/c2ccco2)cc1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)16-10-8-15(9-11-16)18-14-19(18)20(24)23-22-12-4-6-17-7-5-13-25-17/h4-13,18-19H,14H2,1-3H3,(H,23,24)/b6-4+,22-12?/t18-,19-/m0/s1
InChIKeyRXKHWNZQQKYXPG-SMJLRPHOSA-N
MW336.44 g/mol
LogP4.50
Rot. Bonds5

About cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide (PubChem CID 129440322) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
PubChem CID129440322
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Namecis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NN=C/C=C/c2ccco2)cc1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)16-10-8-15(9-11-16)18-14-19(18)20(24)23-22-12-4-6-17-7-5-13-25-17/h4-13,18-19H,14H2,1-3H3,(H,23,24)/b6-4+,22-12?/t18-,19-/m0/s1
InChIKeyRXKHWNZQQKYXPG-SMJLRPHOSA-N
XLogP4.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.50
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-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
CID 7260166
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
CID 129438856
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
CID 7297838
trans-(1R,2R)-N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 739752
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[(Z)-[(2S)-2-phenylpropylidene]amino]cyclopropane-1-carboxamide
CID 7334379
cis-(1R,2S)-N-[[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-2-phenylcyclopropane-1-carboxamide
CID 129440919
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
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]cyclopropane-1-carboxamide
CID 42554251
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(4,5-dibromofuran-2-yl)methylideneamino]cyclopropane-1-carboxamide
CID 7108277

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide (CID 129440322) is cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide is CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NN=C/C=C/c2ccco2)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide?
The InChIKey is RXKHWNZQQKYXPG-SMJLRPHOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2,3)16-10-8-15(9-11-16)18-14-19(18)20(24)23-22-12-4-6-17-7-5-13-25-17/h4-13,18-19H,14H2,1-3H3,(H,23,24)/b6-4+,22-12?/t18-,19-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 129440322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).