trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

C20H19N3O2 — CID 135733485

IUPACtrans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2c1
InChIInChI=1S/C20H19N3O2/c1-25-15-7-8-19-17(9-15)14(11-21-19)12-22-23-20(24)18-10-16(18)13-5-3-2-4-6-13/h2-9,11-12,16,18,21H,10H2,1H3,(H,23,24)/b22-12+/t16-,18+/m0/s1
InChIKeyZCPKMIYBJPEESR-OLTAIVCZSA-N
MW333.39 g/mol
LogP3.43
Rot. Bonds5

About trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 135733485) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID135733485
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Nametrans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2c1
InChIInChI=1S/C20H19N3O2/c1-25-15-7-8-19-17(9-15)14(11-21-19)12-22-23-20(24)18-10-16(18)13-5-3-2-4-6-13/h2-9,11-12,16,18,21H,10H2,1H3,(H,23,24)/b22-12+/t16-,18+/m0/s1
InChIKeyZCPKMIYBJPEESR-OLTAIVCZSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
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'}

Analyze trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6588159
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]cyclopropane-1-carboxamide
CID 136774398
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]cyclopropane-1-carboxamide
CID 135766218
2-(4-tert-butylphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]cyclopropane-1-carboxamide
CID 135684745
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]cyclopropane-1-carboxamide
CID 135766222
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 135399898
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 172938324
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135438347
4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135606782
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5144254
2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 73309390
5-[[amino-[2-[(5-methoxy-1H-indol-3-yl)methylidene]hydrazinyl]methylidene]amino]pentanoic acid
CID 136647326

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 135733485) is trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is COc1ccc2[nH]cc(/C=N/NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2c1.
What is the InChIKey of trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZCPKMIYBJPEESR-OLTAIVCZSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-15-7-8-19-17(9-15)14(11-21-19)12-22-23-20(24)18-10-16(18)13-5-3-2-4-6-13/h2-9,11-12,16,18,21H,10H2,1H3,(H,23,24)/b22-12+/t16-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 333.39 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-(1R,2R)-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135733485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).