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

C23H28N2O4 — CID 8521801

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCC1CCC(N(C)C(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H28N2O4/c1-16-7-11-20(12-8-16)25(2)21(26)15-29-22(27)14-24-23(28)19-10-9-17-5-3-4-6-18(17)13-19/h3-6,9-10,13,16,20H,7-8,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyXGUSAOHYPKPGDP-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.15
Rot. Bonds6

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

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 8521801) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID8521801
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCC1CCC(N(C)C(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H28N2O4/c1-16-7-11-20(12-8-16)25(2)21(26)15-29-22(27)14-24-23(28)19-10-9-17-5-3-4-6-18(17)13-19/h3-6,9-10,13,16,20H,7-8,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyXGUSAOHYPKPGDP-UHFFFAOYSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8520315
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881303
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885171
[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573841
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881034
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573777
[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573697
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8508544
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899367
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881701

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 8521801) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is CC1CCC(N(C)C(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is XGUSAOHYPKPGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-7-11-20(12-8-16)25(2)21(26)15-29-22(27)14-24-23(28)19-10-9-17-5-3-4-6-18(17)13-19/h3-6,9-10,13,16,20H,7-8,11-12,14-15H2,1-2H3,(H,24,28).
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 396.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 8521801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).