cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide

C17H18N2O2 — CID 129360078

IUPACcis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCC(=NNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1ccco1
InChIInChI=1S/C17H18N2O2/c1-12(15-9-6-10-21-15)18-19-16(20)14-11-17(14,2)13-7-4-3-5-8-13/h3-10,14H,11H2,1-2H3,(H,19,20)/t14-,17+/m0/s1
InChIKeyVZYOBQFLSDJXHD-WMLDXEAASA-N
MW282.34 g/mol
LogP3.10
Rot. Bonds4

About cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 129360078) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID129360078
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namecis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCC(=NNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1ccco1
InChIInChI=1S/C17H18N2O2/c1-12(15-9-6-10-21-15)18-19-16(20)14-11-17(14,2)13-7-4-3-5-8-13/h3-10,14H,11H2,1-2H3,(H,19,20)/t14-,17+/m0/s1
InChIKeyVZYOBQFLSDJXHD-WMLDXEAASA-N
XLogP3.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.10
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

N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
CID 3424450
2-(4-benzylpiperazin-1-yl)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 702764
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate
CID 3874602
N-[1-(furan-2-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 3910447

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide (CID 129360078) is cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide is CC(=NNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1ccco1.
What is the InChIKey of cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VZYOBQFLSDJXHD-WMLDXEAASA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(15-9-6-10-21-15)18-19-16(20)14-11-17(14,2)13-7-4-3-5-8-13/h3-10,14H,11H2,1-2H3,(H,19,20)/t14-,17+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 129360078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).