ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate

C14H26N2O3 — CID 61498920

IUPACethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCCOC(=O)C(C)NC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-4-19-14(18)11(3)15-10(2)13(17)16-12-8-6-5-7-9-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyBRYFPSJIMOLPAD-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds6

About ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate

ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 61498920) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
PubChem CID61498920
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCCOC(=O)C(C)NC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-4-19-14(18)11(3)15-10(2)13(17)16-12-8-6-5-7-9-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyBRYFPSJIMOLPAD-UHFFFAOYSA-N
XLogP1.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498803
ethyl 2-(cyclohexylcarbamoylamino)propanoate
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ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
N-cyclopentyl-2-(3-methylpentan-2-ylamino)propanamide
CID 54950797
N-cyclohexyl-2-ethoxypropanamide
CID 137320539
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631930

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate (CID 61498920) is ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate is CCOC(=O)C(C)NC(C)C(=O)NC1CCCCC1.
What is the InChIKey of ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is BRYFPSJIMOLPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-19-14(18)11(3)15-10(2)13(17)16-12-8-6-5-7-9-12/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate?
ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 61498920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).