trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide

C19H20N2O2 — CID 135920731

IUPACtrans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCC/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O
InChIInChI=1S/C19H20N2O2/c1-2-17(14-10-6-7-11-18(14)22)20-21-19(23)16-12-15(16)13-8-4-3-5-9-13/h3-11,15-16,22H,2,12H2,1H3,(H,21,23)/b20-17-/t15-,16+/m1/s1
InChIKeyZGJOUBATFGLNQQ-GSIZDLBOSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds5

About trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 135920731) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID135920731
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nametrans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCC/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O
InChIInChI=1S/C19H20N2O2/c1-2-17(14-10-6-7-11-18(14)22)20-21-19(23)16-12-15(16)13-8-4-3-5-9-13/h3-11,15-16,22H,2,12H2,1H3,(H,21,23)/b20-17-/t15-,16+/m1/s1
InChIKeyZGJOUBATFGLNQQ-GSIZDLBOSA-N
XLogP3.43
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 904155
cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
CID 7224859
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 5069125
cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
CID 7209886
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
CID 40524833
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 135920731) is trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide is CC/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O.
What is the InChIKey of trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZGJOUBATFGLNQQ-GSIZDLBOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-17(14-10-6-7-11-18(14)22)20-21-19(23)16-12-15(16)13-8-4-3-5-9-13/h3-11,15-16,22H,2,12H2,1H3,(H,21,23)/b20-17-/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135920731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).