[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C20H28N2O5 — CID 8520315

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)C2CCC(C)CC2)cc1
InChIInChI=1S/C20H28N2O5/c1-14-4-8-16(9-5-14)22(2)18(23)13-27-19(24)12-21-20(25)15-6-10-17(26-3)11-7-15/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3,(H,21,25)
InChIKeyCBISMSJKCUIQTO-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.01
Rot. Bonds7

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 8520315) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID8520315
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C)C2CCC(C)CC2)cc1
InChIInChI=1S/C20H28N2O5/c1-14-4-8-16(9-5-14)22(2)18(23)13-27-19(24)12-21-20(25)15-6-10-17(26-3)11-7-15/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3,(H,21,25)
InChIKeyCBISMSJKCUIQTO-UHFFFAOYSA-N
XLogP2.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8521801
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788846
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899367
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345629
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345553
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722080
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885171
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235929
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65119825

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 8520315) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)N(C)C2CCC(C)CC2)cc1.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is CBISMSJKCUIQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14-4-8-16(9-5-14)22(2)18(23)13-27-19(24)12-21-20(25)15-6-10-17(26-3)11-7-15/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3,(H,21,25).
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 376.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8520315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).