cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

C19H20N2O3 — CID 135593441

IUPACcis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1cc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1O
InChIInChI=1S/C19H20N2O3/c1-12(14-8-9-17(22)18(10-14)24-2)20-21-19(23)16-11-15(16)13-6-4-3-5-7-13/h3-10,15-16,22H,11H2,1-2H3,(H,21,23)/b20-12+/t15-,16-/m1/s1
InChIKeyNIXVYTRRBBGZJX-VTLGGBRFSA-N
MW324.38 g/mol
LogP3.04
Rot. Bonds5

About cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 135593441) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID135593441
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namecis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1cc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1O
InChIInChI=1S/C19H20N2O3/c1-12(14-8-9-17(22)18(10-14)24-2)20-21-19(23)16-11-15(16)13-6-4-3-5-7-13/h3-10,15-16,22H,11H2,1-2H3,(H,21,23)/b20-12+/t15-,16-/m1/s1
InChIKeyNIXVYTRRBBGZJX-VTLGGBRFSA-N
XLogP3.04
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7428350
cis-(1S,2R)-N-[(Z)-1-(3,4-dihydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136668784
cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40555202
trans-(1S,2S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7296073
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135472421
cis-(1R,2S)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522725
trans-(1R,2R)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522727
trans-(1R,2R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353906
trans-(1R,2R)-N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353905

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 135593441) is cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is COc1cc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1O.
What is the InChIKey of cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is NIXVYTRRBBGZJX-VTLGGBRFSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(14-8-9-17(22)18(10-14)24-2)20-21-19(23)16-11-15(16)13-6-4-3-5-7-13/h3-10,15-16,22H,11H2,1-2H3,(H,21,23)/b20-12+/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135593441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).