trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide

C22H20N2O2 — CID 137207097

IUPACtrans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
SMILESC[C@]1(c2ccccc2)C[C@@H]1C(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C22H20N2O2/c1-22(16-8-3-2-4-9-16)13-19(22)21(26)24-23-14-18-17-10-6-5-7-15(17)11-12-20(18)25/h2-12,14,19,25H,13H2,1H3,(H,24,26)/t19-,22-/m1/s1
InChIKeyQVVOECLIGBHMMW-DENIHFKCSA-N
MW344.41 g/mol
LogP3.97
Rot. Bonds4

About trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 137207097) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID137207097
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Nametrans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
SMILESC[C@]1(c2ccccc2)C[C@@H]1C(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C22H20N2O2/c1-22(16-8-3-2-4-9-16)13-19(22)21(26)24-23-14-18-17-10-6-5-7-15(17)11-12-20(18)25/h2-12,14,19,25H,13H2,1H3,(H,24,26)/t19-,22-/m1/s1
InChIKeyQVVOECLIGBHMMW-DENIHFKCSA-N
XLogP3.97
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.97
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'}

Analyze trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-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

(1R)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135827743
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3095682
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
CID 3545962
(3R,5S)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3,5-dimethyladamantane-1-carboxamide
CID 135708248
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide
CID 135716858
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpiperidine-2-carboxamide
CID 136900702
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide (CID 137207097) is trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide is C[C@]1(c2ccccc2)C[C@@H]1C(=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QVVOECLIGBHMMW-DENIHFKCSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-22(16-8-3-2-4-9-16)13-19(22)21(26)24-23-14-18-17-10-6-5-7-15(17)11-12-20(18)25/h2-12,14,19,25H,13H2,1H3,(H,24,26)/t19-,22-/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 137207097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).