[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate

C20H29NO5 — CID 7042976

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC2CCC(C)CC2)cc1OCC
InChIInChI=1S/C20H29NO5/c1-4-24-17-11-8-15(12-18(17)25-5-2)20(23)26-13-19(22)21-16-9-6-14(3)7-10-16/h8,11-12,14,16H,4-7,9-10,13H2,1-3H3,(H,21,22)
InChIKeyLZODOHUHMCMABZ-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.34
Rot. Bonds8

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (PubChem CID 7042976) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
PubChem CID7042976
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC2CCC(C)CC2)cc1OCC
InChIInChI=1S/C20H29NO5/c1-4-24-17-11-8-15(12-18(17)25-5-2)20(23)26-13-19(22)21-16-9-6-14(3)7-10-16/h8,11-12,14,16H,4-7,9-10,13H2,1-3H3,(H,21,22)
InChIKeyLZODOHUHMCMABZ-UHFFFAOYSA-N
XLogP3.34
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 2540841
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322
[2-(cyclopropylamino)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9390119
ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34870859
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 11908007
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781532
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712134
[2-(cyclopropylamino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7837372
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712143

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (CID 7042976) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NC2CCC(C)CC2)cc1OCC.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The InChIKey is LZODOHUHMCMABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-4-24-17-11-8-15(12-18(17)25-5-2)20(23)26-13-19(22)21-16-9-6-14(3)7-10-16/h8,11-12,14,16H,4-7,9-10,13H2,1-3H3,(H,21,22).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate has a molecular weight of 363.45 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is sourced from PubChem (CID 7042976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).