methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate

C13H23NO3 — CID 43407455

IUPACmethyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCC1CCCCC1
InChIInChI=1S/C13H23NO3/c1-14(10-13(16)17-2)12(15)9-8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3
InChIKeyZVLJHPNTWPVFAT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds5

About methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate

methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate (PubChem CID 43407455) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate
PubChem CID43407455
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCC1CCCCC1
InChIInChI=1S/C13H23NO3/c1-14(10-13(16)17-2)12(15)9-8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3
InChIKeyZVLJHPNTWPVFAT-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[2-(diethylamino)-2-oxoethyl]-N-methylpropanamide
CID 86908098
3-cyclobutyl-N-methoxy-N-methylpropanamide
CID 142020643
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
methyl 4-cyclohexyl-2-oxobutanoate
CID 102124215
methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
CID 155943272
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
N-(azetidin-3-yl)-3-cyclohexyl-N-methylpropanamide
CID 66185701
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
3-cyclohexyl-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 18274940
3-cyclohexyl-N-methyl-N-(2-piperidin-2-ylethyl)propanamide
CID 43187165

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate (CID 43407455) is methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate is COC(=O)CN(C)C(=O)CCC1CCCCC1.
What is the InChIKey of methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate?
The InChIKey is ZVLJHPNTWPVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14(10-13(16)17-2)12(15)9-8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3.
What are the key properties of methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate?
methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate has a molecular weight of 241.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate is sourced from PubChem (CID 43407455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).