[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate

C17H22N4O2 — CID 134107242

IUPAC[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
SMILESN/C(Cc1c[nH]c2ccccc12)=N\OC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N4O2/c18-16(10-12-11-19-15-9-5-4-8-14(12)15)21-23-17(22)20-13-6-2-1-3-7-13/h4-5,8-9,11,13,19H,1-3,6-7,10H2,(H2,18,21)(H,20,22)
InChIKeyVNUBVQNYJNFYHY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.04
Rot. Bonds4

About [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate

[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate (PubChem CID 134107242) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
PubChem CID134107242
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate
SMILESN/C(Cc1c[nH]c2ccccc12)=N\OC(=O)NC1CCCCC1
InChIInChI=1S/C17H22N4O2/c18-16(10-12-11-19-15-9-5-4-8-14(12)15)21-23-17(22)20-13-6-2-1-3-7-13/h4-5,8-9,11,13,19H,1-3,6-7,10H2,(H2,18,21)(H,20,22)
InChIKeyVNUBVQNYJNFYHY-UHFFFAOYSA-N
XLogP3.04
TPSA92.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.04
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'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate 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

[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl] carbamate
CID 175275526
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
N-cyclopentyloxy-2-(1H-indol-3-yl)acetamide
CID 83202752
N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 3993913
N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]-methylamino]cyclohexane-1-carboxamide
CID 4992266
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate?
The IUPAC name of [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate (CID 134107242) is [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate.
What is the SMILES notation for [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate?
The canonical SMILES for [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate is N/C(Cc1c[nH]c2ccccc12)=N\OC(=O)NC1CCCCC1.
What is the InChIKey of [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate?
The InChIKey is VNUBVQNYJNFYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-16(10-12-11-19-15-9-5-4-8-14(12)15)21-23-17(22)20-13-6-2-1-3-7-13/h4-5,8-9,11,13,19H,1-3,6-7,10H2,(H2,18,21)(H,20,22).
What are the key properties of [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate?
[(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate has a molecular weight of 314.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-amino-2-(1H-indol-3-yl)ethylidene]amino] N-cyclohexylcarbamate is sourced from PubChem (CID 134107242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).