[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

C21H30N2O7 — CID 7899367

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C21H30N2O7/c1-23(15-8-6-5-7-9-15)18(24)13-30-19(25)12-22-21(26)14-10-16(27-2)20(29-4)17(11-14)28-3/h10-11,15H,5-9,12-13H2,1-4H3,(H,22,26)
InChIKeyPCGUYYCHXYKKJA-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.78
Rot. Bonds9

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 7899367) has the molecular formula C21H30N2O7 and a molecular weight of 422.48 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID7899367
Molecular FormulaC21H30N2O7
Molecular Weight422.48 g/mol
Exact Mass422.21
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C21H30N2O7/c1-23(15-8-6-5-7-9-15)18(24)13-30-19(25)12-22-21(26)14-10-16(27-2)20(29-4)17(11-14)28-3/h10-11,15H,5-9,12-13H2,1-4H3,(H,22,26)
InChIKeyPCGUYYCHXYKKJA-UHFFFAOYSA-N
XLogP1.78
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499758
(3,3-dimethyl-2-oxobutyl) 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40589265
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8520315
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899372
N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 112805274
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 4789782
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8521801
[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate
CID 3593681
2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 2452744
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899328
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55320187
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899329

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 7899367) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is COc1cc(C(=O)NCC(=O)OCC(=O)N(C)C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is PCGUYYCHXYKKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O7/c1-23(15-8-6-5-7-9-15)18(24)13-30-19(25)12-22-21(26)14-10-16(27-2)20(29-4)17(11-14)28-3/h10-11,15H,5-9,12-13H2,1-4H3,(H,22,26).
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 422.48 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7899367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).