[5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate

C20H33N5O7 — CID 3451938

IUPAC[5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OC1CC(O)(C(=O)NCC(N)=O)CC(NC(=O)NC2CCCCC2)C1O
InChIInChI=1S/C20H33N5O7/c1-2-8-22-19(30)32-14-10-20(31,17(28)23-11-15(21)26)9-13(16(14)27)25-18(29)24-12-6-4-3-5-7-12/h2,12-14,16,27,31H,1,3-11H2,(H2,21,26)(H,22,30)(H,23,28)(H2,24,25,29)
InChIKeySKWLDPMHRMCFLO-UHFFFAOYSA-N
MW455.51 g/mol
LogP-1.25
Rot. Bonds8

About [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate

[5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate (PubChem CID 3451938) has the molecular formula C20H33N5O7 and a molecular weight of 455.51 g/mol. Its IUPAC name is [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate.

Molecular Properties

Compound Name[5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate
PubChem CID3451938
Molecular FormulaC20H33N5O7
Molecular Weight455.51 g/mol
Exact Mass455.24
IUPAC Name[5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OC1CC(O)(C(=O)NCC(N)=O)CC(NC(=O)NC2CCCCC2)C1O
InChIInChI=1S/C20H33N5O7/c1-2-8-22-19(30)32-14-10-20(31,17(28)23-11-15(21)26)9-13(16(14)27)25-18(29)24-12-6-4-3-5-7-12/h2,12-14,16,27,31H,1,3-11H2,(H2,21,26)(H,22,30)(H,23,28)(H2,24,25,29)
InChIKeySKWLDPMHRMCFLO-UHFFFAOYSA-N
XLogP-1.25
TPSA192.11 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 5-1.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate 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,2R,3S,5S)-5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-5-hydroxy-2-(prop-2-enylcarbamoyloxy)cyclohexyl] N-prop-2-enylcarbamate
CID 44716551
(1S,3S,4R,5R)-N-(2-amino-2-oxoethyl)-3-(cyclohexylcarbamoylamino)-1,4,5-trihydroxycyclohexane-1-carboxamide
CID 11865651
[5-[(2-amino-2-oxoethyl)carbamoyl]-5-hydroxy-2-(prop-2-enylcarbamoyloxy)-3-(propylcarbamoylamino)cyclohexyl] N-prop-2-enylcarbamate
CID 3728106
[5-[(2-amino-2-oxoethyl)carbamoyl]-3-[(2,4-difluorophenyl)carbamoylamino]-5-hydroxy-2-(prop-2-enylcarbamoyloxy)cyclohexyl] N-prop-2-enylcarbamate
CID 3513305
methyl 2-[[3-(cyclohexylcarbamoylamino)-1,4,5-trihydroxycyclohexanecarbonyl]amino]-3-methylbutanoate
CID 3870956
(1S,3S,4R,5R)-N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]-3-(cyclohexylcarbamoylamino)-1,4,5-trihydroxycyclohexane-1-carboxamide
CID 7127882
N-cyclohexylprop-2-enamide;N-prop-2-enylprop-2-enamide
CID 174429231
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
(1S,3S,4R,5R)-N-[(2S)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-(cyclohexylcarbamoylamino)-1,4,5-trihydroxycyclohexane-1-carboxamide
CID 7134492
1-(4-hydroxycyclohexyl)-3-prop-2-enylurea
CID 130701517
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641
N-cyclooctyl-2-(prop-2-enylamino)acetamide
CID 78908315

Frequently Asked Questions

What is the IUPAC name of [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate?
The IUPAC name of [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate (CID 3451938) is [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate.
What is the SMILES notation for [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate?
The canonical SMILES for [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate is C=CCNC(=O)OC1CC(O)(C(=O)NCC(N)=O)CC(NC(=O)NC2CCCCC2)C1O.
What is the InChIKey of [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate?
The InChIKey is SKWLDPMHRMCFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O7/c1-2-8-22-19(30)32-14-10-20(31,17(28)23-11-15(21)26)9-13(16(14)27)25-18(29)24-12-6-4-3-5-7-12/h2,12-14,16,27,31H,1,3-11H2,(H2,21,26)(H,22,30)(H,23,28)(H2,24,25,29).
What are the key properties of [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate?
[5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate has a molecular weight of 455.51 g/mol, XLogP of -1.25, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-amino-2-oxoethyl)carbamoyl]-3-(cyclohexylcarbamoylamino)-2,5-dihydroxycyclohexyl] N-prop-2-enylcarbamate is sourced from PubChem (CID 3451938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).