butyl 2-[acetyl(cyclohexyl)amino]acetate

C14H25NO3 — CID 57021801

IUPACbutyl 2-[acetyl(cyclohexyl)amino]acetate
SMILESCCCCOC(=O)CN(C(C)=O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-4-10-18-14(17)11-15(12(2)16)13-8-6-5-7-9-13/h13H,3-11H2,1-2H3
InChIKeyTVPQQXFAEMWFGI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.51
Rot. Bonds6

About butyl 2-[acetyl(cyclohexyl)amino]acetate

butyl 2-[acetyl(cyclohexyl)amino]acetate (PubChem CID 57021801) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is butyl 2-[acetyl(cyclohexyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[acetyl(cyclohexyl)amino]acetate
PubChem CID57021801
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namebutyl 2-[acetyl(cyclohexyl)amino]acetate
SMILESCCCCOC(=O)CN(C(C)=O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-4-10-18-14(17)11-15(12(2)16)13-8-6-5-7-9-13/h13H,3-11H2,1-2H3
InChIKeyTVPQQXFAEMWFGI-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 57064221
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
butyl N,N-dicyclohexylcarbamate
CID 13416417
butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 54940545
butyl 2-[methyl-(4-oxocyclohexyl)amino]acetate
CID 79119526
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072
butyl 2-(cyclooctylamino)acetate
CID 54917785
pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819
octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692144
ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
CID 113166314
butyl 2-(dimethylamino)acetate;methane
CID 157088664
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821

Frequently Asked Questions

What is the IUPAC name of butyl 2-[acetyl(cyclohexyl)amino]acetate?
The IUPAC name of butyl 2-[acetyl(cyclohexyl)amino]acetate (CID 57021801) is butyl 2-[acetyl(cyclohexyl)amino]acetate.
What is the SMILES notation for butyl 2-[acetyl(cyclohexyl)amino]acetate?
The canonical SMILES for butyl 2-[acetyl(cyclohexyl)amino]acetate is CCCCOC(=O)CN(C(C)=O)C1CCCCC1.
What is the InChIKey of butyl 2-[acetyl(cyclohexyl)amino]acetate?
The InChIKey is TVPQQXFAEMWFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-10-18-14(17)11-15(12(2)16)13-8-6-5-7-9-13/h13H,3-11H2,1-2H3.
What are the key properties of butyl 2-[acetyl(cyclohexyl)amino]acetate?
butyl 2-[acetyl(cyclohexyl)amino]acetate has a molecular weight of 255.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[acetyl(cyclohexyl)amino]acetate is sourced from PubChem (CID 57021801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).