ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate

C13H23NO3 — CID 54963755

IUPACethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
SMILESCCCC1CCC(NC(=O)C(=O)OCC)CC1
InChIInChI=1S/C13H23NO3/c1-3-5-10-6-8-11(9-7-10)14-12(15)13(16)17-4-2/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyKDMKMZNSNBXEMS-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate

ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate (PubChem CID 54963755) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
PubChem CID54963755
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
SMILESCCCC1CCC(NC(=O)C(=O)OCC)CC1
InChIInChI=1S/C13H23NO3/c1-3-5-10-6-8-11(9-7-10)14-12(15)13(16)17-4-2/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyKDMKMZNSNBXEMS-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
CID 114550597
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
CID 119750378
N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
CID 134246443
bis[4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 70479427
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate (CID 54963755) is ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate is CCCC1CCC(NC(=O)C(=O)OCC)CC1.
What is the InChIKey of ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate?
The InChIKey is KDMKMZNSNBXEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-5-10-6-8-11(9-7-10)14-12(15)13(16)17-4-2/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate?
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate has a molecular weight of 241.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate is sourced from PubChem (CID 54963755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).