cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide

C20H20N2O — CID 129439751

IUPACcis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
SMILESCC(/C=C\c1ccccc1)=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20N2O/c1-15(12-13-16-8-4-2-5-9-16)21-22-20(23)19-14-18(19)17-10-6-3-7-11-17/h2-13,18-19H,14H2,1H3,(H,22,23)/b13-12-,21-15?/t18-,19-/m1/s1
InChIKeyOFFPXSVZSZHNOC-VVRZWVSASA-N
MW304.39 g/mol
LogP4.00
Rot. Bonds5

About cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide

cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide (PubChem CID 129439751) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
PubChem CID129439751
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Namecis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
SMILESCC(/C=C\c1ccccc1)=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20N2O/c1-15(12-13-16-8-4-2-5-9-16)21-22-20(23)19-14-18(19)17-10-6-3-7-11-17/h2-13,18-19H,14H2,1H3,(H,22,23)/b13-12-,21-15?/t18-,19-/m1/s1
InChIKeyOFFPXSVZSZHNOC-VVRZWVSASA-N
XLogP4.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide with MolForge

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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
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
trans-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino] (1R,2R)-2-phenylcyclopropane-1-carboxylate
CID 5406560
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
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)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
CID 40524833
N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 5069125
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide (CID 129439751) is cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide is CC(/C=C\c1ccccc1)=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide?
The InChIKey is OFFPXSVZSZHNOC-VVRZWVSASA-N. The full InChI is InChI=1S/C20H20N2O/c1-15(12-13-16-8-4-2-5-9-16)21-22-20(23)19-14-18(19)17-10-6-3-7-11-17/h2-13,18-19H,14H2,1H3,(H,22,23)/b13-12-,21-15?/t18-,19-/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 129439751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).