N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide

C20H26N4O2 — CID 142322594

IUPACN-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide
SMILESC/C(N)=N\C(=O)C1CC1CNC1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H26N4O2/c1-12(21)23-18(25)15-10-13(15)11-22-14-6-8-20(9-7-14)16-4-2-3-5-17(16)24-19(20)26/h2-5,13-15,22H,6-11H2,1H3,(H,24,26)(H2,21,23,25)
InChIKeySTCCAVJMCYFHBF-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.95
Rot. Bonds4

About N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide

N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide (PubChem CID 142322594) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide
PubChem CID142322594
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide
SMILESC/C(N)=N\C(=O)C1CC1CNC1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H26N4O2/c1-12(21)23-18(25)15-10-13(15)11-22-14-6-8-20(9-7-14)16-4-2-3-5-17(16)24-19(20)26/h2-5,13-15,22H,6-11H2,1H3,(H,24,26)(H2,21,23,25)
InChIKeySTCCAVJMCYFHBF-UHFFFAOYSA-N
XLogP1.95
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4'-[(2-cyclohexyl-2-hydroxypropyl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 136535620
4'-[[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 167762881
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
CID 134431901
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1-methyl-N-[(1R,3R)-3-[(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]cyclohexyl]cyclopropane-1-carboxamide
CID 157012359
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901883
4'-[(1-ethylindazol-6-yl)amino]spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 127761821
1'-(7-bicyclo[4.2.0]oct-4-enylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 70959217

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide (CID 142322594) is N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide is C/C(N)=N\C(=O)C1CC1CNC1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide?
The InChIKey is STCCAVJMCYFHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-12(21)23-18(25)15-10-13(15)11-22-14-6-8-20(9-7-14)16-4-2-3-5-17(16)24-19(20)26/h2-5,13-15,22H,6-11H2,1H3,(H,24,26)(H2,21,23,25).
What are the key properties of N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide?
N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-[[(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)amino]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142322594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).