methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate

C15H28N2O3 — CID 62011561

IUPACmethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-4-10-17(11-14(18)20-3)12(2)15(19)16-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyAGBKCCHHKZAJNF-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds7

About methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate

methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate (PubChem CID 62011561) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
PubChem CID62011561
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-4-10-17(11-14(18)20-3)12(2)15(19)16-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyAGBKCCHHKZAJNF-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
ethyl 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]acetate
CID 62026180
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
N-cyclopropyl-2-[2-hydroxyethyl(propyl)amino]propanamide
CID 60691805
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
N-cyclopentyl-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78789589
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011369
2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968957
N-cyclohexyl-2-ethoxypropanamide
CID 137320539
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
methyl 2-[[3-(cyclopropylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 55090982

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The IUPAC name of methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate (CID 62011561) is methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate is CCCN(CC(=O)OC)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The InChIKey is AGBKCCHHKZAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-10-17(11-14(18)20-3)12(2)15(19)16-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H,16,19).
What are the key properties of methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate?
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate is sourced from PubChem (CID 62011561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).