methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate

C20H36N4O6 — CID 118911938

IUPACmethyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)NCC1(C)CC(NC(=O)N(C)CC(=O)OC)CC(C)(C)C1
InChIInChI=1S/C20H36N4O6/c1-19(2)8-14(22-18(28)24(5)11-16(26)30-7)9-20(3,12-19)13-21-17(27)23(4)10-15(25)29-6/h14H,8-13H2,1-7H3,(H,21,27)(H,22,28)
InChIKeyRGJHSVINUNYNDO-UHFFFAOYSA-N
MW428.53 g/mol
LogP1.20
Rot. Bonds7

About methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate

methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate (PubChem CID 118911938) has the molecular formula C20H36N4O6 and a molecular weight of 428.53 g/mol. Its IUPAC name is methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate
PubChem CID118911938
Molecular FormulaC20H36N4O6
Molecular Weight428.53 g/mol
Exact Mass428.26
IUPAC Namemethyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)NCC1(C)CC(NC(=O)N(C)CC(=O)OC)CC(C)(C)C1
InChIInChI=1S/C20H36N4O6/c1-19(2)8-14(22-18(28)24(5)11-16(26)30-7)9-20(3,12-19)13-21-17(27)23(4)10-15(25)29-6/h14H,8-13H2,1-7H3,(H,21,27)(H,22,28)
InChIKeyRGJHSVINUNYNDO-UHFFFAOYSA-N
XLogP1.20
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate with MolForge

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Related Compounds

3-[(1R,3R)-3-[(dimethylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]-1,1-dimethylurea
CID 3084763
CID 59804572
CID 59804572
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
1-cyclooctyl-3-[(1S,3R)-3-[(cyclooctylcarbamoylamino)methyl]-3,5,5-trimethylcyclohexyl]urea
CID 27210531
methyl N-[[5-[2-(methoxycarbonylamino)ethoxycarbonylamino]-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 118911971
3-(dimethylamino)propyl N-[3-[[3-(dimethylamino)propoxycarbonylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 156847292
N-[[5-(carbamoylamino)-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 144769247
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]butanamide
CID 118440950
1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea
CID 59547464
1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070
oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-[[methyl(3-methylsilylbutyl)carbamoyl]amino]cyclohexyl]methyl]carbamate
CID 123869040

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate?
The IUPAC name of methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate (CID 118911938) is methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate?
The canonical SMILES for methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate is COC(=O)CN(C)C(=O)NCC1(C)CC(NC(=O)N(C)CC(=O)OC)CC(C)(C)C1.
What is the InChIKey of methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate?
The InChIKey is RGJHSVINUNYNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O6/c1-19(2)8-14(22-18(28)24(5)11-16(26)30-7)9-20(3,12-19)13-21-17(27)23(4)10-15(25)29-6/h14H,8-13H2,1-7H3,(H,21,27)(H,22,28).
What are the key properties of methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate?
methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate has a molecular weight of 428.53 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl-methylamino]acetate is sourced from PubChem (CID 118911938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).