ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate

C12H22N2O3 — CID 43384978

IUPACethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-3-17-11(15)9-13-12(16)14(2)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyLWAFHGQVKCMAMY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.52
Rot. Bonds4

About ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate

ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate (PubChem CID 43384978) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
PubChem CID43384978
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-3-17-11(15)9-13-12(16)14(2)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyLWAFHGQVKCMAMY-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
CID 54949005
ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
CID 115138534
1-cyclohexyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115584066
3-(2-aminoethyl)-1-cycloheptyl-1-methylurea
CID 82508731
3-[[cyclohexyl(methyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308086
ethyl 2-[[cyclopropyl(propyl)carbamoyl]amino]acetate
CID 43445694
1-cyclopentyl-1-methyl-3-propylurea
CID 115575080
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251696
1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
CID 108912761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate (CID 43384978) is ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)C1CCCCC1.
What is the InChIKey of ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate?
The InChIKey is LWAFHGQVKCMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-11(15)9-13-12(16)14(2)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,13,16).
What are the key properties of ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate?
ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclohexyl(methyl)carbamoyl]amino]acetate is sourced from PubChem (CID 43384978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).