ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate

C15H27NO3 — CID 79005878

IUPACethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C1CCC(C)CC1
InChIInChI=1S/C15H27NO3/c1-4-10-16(11-14(17)19-5-2)15(18)13-8-6-12(3)7-9-13/h12-13H,4-11H2,1-3H3
InChIKeyAAVUXACPMINHMC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds6

About ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate

ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate (PubChem CID 79005878) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
PubChem CID79005878
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C1CCC(C)CC1
InChIInChI=1S/C15H27NO3/c1-4-10-16(11-14(17)19-5-2)15(18)13-8-6-12(3)7-9-13/h12-13H,4-11H2,1-3H3
InChIKeyAAVUXACPMINHMC-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
CID 79162765
ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
CID 87031091
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79796106
(1S,6R)-6-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962318
ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
ethyl 2-[2-methoxyethyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739397
ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 61006916
2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978387
ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 61012248

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate (CID 79005878) is ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)C1CCC(C)CC1.
What is the InChIKey of ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate?
The InChIKey is AAVUXACPMINHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-10-16(11-14(17)19-5-2)15(18)13-8-6-12(3)7-9-13/h12-13H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate?
ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate is sourced from PubChem (CID 79005878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).