ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate

C14H26N2O3 — CID 17174375

IUPACethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NC1CCC(CC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-11-5-7-12(8-6-11)16-14(18)15-10-9-13(17)19-4-2/h11-12H,3-10H2,1-2H3,(H2,15,16,18)
InChIKeyWMRVBOFCVNVHQO-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.21
Rot. Bonds6

About ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate

ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate (PubChem CID 17174375) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
PubChem CID17174375
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NC1CCC(CC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-11-5-7-12(8-6-11)16-14(18)15-10-9-13(17)19-4-2/h11-12H,3-10H2,1-2H3,(H2,15,16,18)
InChIKeyWMRVBOFCVNVHQO-UHFFFAOYSA-N
XLogP2.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
ethyl 3-(oxan-4-ylmethylcarbamoylamino)propanoate
CID 108913003
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
ethyl 3-[(1-cycloheptyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoate
CID 45246068
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate?
The IUPAC name of ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate (CID 17174375) is ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate is CCOC(=O)CCNC(=O)NC1CCC(CC)CC1.
What is the InChIKey of ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate?
The InChIKey is WMRVBOFCVNVHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-11-5-7-12(8-6-11)16-14(18)15-10-9-13(17)19-4-2/h11-12H,3-10H2,1-2H3,(H2,15,16,18).
What are the key properties of ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate?
ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate is sourced from PubChem (CID 17174375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).