[6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate

C16H24N4O3 — CID 59932349

IUPAC[6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate
SMILESCNC(=O)C1CC=CCC1COC(=O)NCCCn1ccnc1
InChIInChI=1S/C16H24N4O3/c1-17-15(21)14-6-3-2-5-13(14)11-23-16(22)19-7-4-9-20-10-8-18-12-20/h2-3,8,10,12-14H,4-7,9,11H2,1H3,(H,17,21)(H,19,22)
InChIKeyWVXGRLCZPIDRCS-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.33
Rot. Bonds7

About [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate

[6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate (PubChem CID 59932349) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate.

Molecular Properties

Compound Name[6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate
PubChem CID59932349
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate
SMILESCNC(=O)C1CC=CCC1COC(=O)NCCCn1ccnc1
InChIInChI=1S/C16H24N4O3/c1-17-15(21)14-6-3-2-5-13(14)11-23-16(22)19-7-4-9-20-10-8-18-12-20/h2-3,8,10,12-14H,4-7,9,11H2,1H3,(H,17,21)(H,19,22)
InChIKeyWVXGRLCZPIDRCS-UHFFFAOYSA-N
XLogP1.33
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate 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

N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 51079756
6-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
CID 3525145
[6-(octadecylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate
CID 21266148
[6-[formyl(octadecyl)amino]cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate
CID 88145631
8-[2-(3-imidazol-1-ylpropylcarbamoyloxy)ethyl-[(Z)-octadec-9-enyl]amino]octyl 2-hexyldecanoate
CID 178260935
[(Z)-non-3-enyl] 6-[3-(3-imidazol-1-ylpropylcarbamoyloxy)propyl-[6-(2-octyldodecoxy)-6-oxohexyl]amino]hexanoate
CID 178496283
[(Z)-non-3-enyl] 6-[3-(3-imidazol-1-ylpropylcarbamoyloxy)propyl-[6-[(Z)-non-3-enoxy]-6-oxohexyl]amino]hexanoate
CID 178496291
2-octyldodecyl 6-[2-(3-imidazol-1-ylpropoxycarbonylamino)ethyl-[(Z)-octadec-9-enyl]amino]hexanoate
CID 178496315
2-octyldodecyl 6-[2-(3-imidazol-1-ylpropylcarbamoylamino)ethyl-[(Z)-octadec-9-enyl]amino]hexanoate
CID 178496541
2-octyldodecyl 6-[2-(3-imidazol-1-ylpropylcarbamoyloxy)ethyl-[(Z)-octadec-9-enyl]amino]hexanoate
CID 178496657
8-[3-(3-imidazol-1-ylpropylcarbamoyloxy)propyl-[6-[(Z)-non-3-enoxy]-6-oxohexyl]amino]octyl 2-hexyldecanoate
CID 178496700
8-[3-(3-imidazol-1-ylpropylcarbamoyloxy)propyl-[(Z)-octadec-9-enyl]amino]octyl 2-hexyldecanoate
CID 178496752

Frequently Asked Questions

What is the IUPAC name of [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate?
The IUPAC name of [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate (CID 59932349) is [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate.
What is the SMILES notation for [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate?
The canonical SMILES for [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate is CNC(=O)C1CC=CCC1COC(=O)NCCCn1ccnc1.
What is the InChIKey of [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate?
The InChIKey is WVXGRLCZPIDRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-17-15(21)14-6-3-2-5-13(14)11-23-16(22)19-7-4-9-20-10-8-18-12-20/h2-3,8,10,12-14H,4-7,9,11H2,1H3,(H,17,21)(H,19,22).
What are the key properties of [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate?
[6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate has a molecular weight of 320.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylcarbamoyl)cyclohex-3-en-1-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate is sourced from PubChem (CID 59932349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).