butyl 2-(octylamino)acetate

C14H29NO2 — CID 115567498

IUPACbutyl 2-(octylamino)acetate
SMILESCCCCCCCCNCC(=O)OCCCC
InChIInChI=1S/C14H29NO2/c1-3-5-7-8-9-10-11-15-13-14(16)17-12-6-4-2/h15H,3-13H2,1-2H3
InChIKeyADSHRUDJHURZIC-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.28
Rot. Bonds12

About butyl 2-(octylamino)acetate

butyl 2-(octylamino)acetate (PubChem CID 115567498) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is butyl 2-(octylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(octylamino)acetate
PubChem CID115567498
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namebutyl 2-(octylamino)acetate
SMILESCCCCCCCCNCC(=O)OCCCC
InChIInChI=1S/C14H29NO2/c1-3-5-7-8-9-10-11-15-13-14(16)17-12-6-4-2/h15H,3-13H2,1-2H3
InChIKeyADSHRUDJHURZIC-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(butylamino)acetate
CID 118604269
octyl 2-[3-(dimethylamino)propylamino]acetate
CID 176847231
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
CID 175685020
butyl 2-(pent-4-ynylamino)acetate
CID 106221090
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
butyl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336288
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
2-(hexadecylamino)ethyl propanoate
CID 174467730
octyl 2-(2-methylpropylamino)acetate
CID 63065599
tert-butyl 2-(octylamino)acetate
CID 78913453
[(2-heptoxy-2-oxoethyl)amino]methylphosphonic acid
CID 86159815

Frequently Asked Questions

What is the IUPAC name of butyl 2-(octylamino)acetate?
The IUPAC name of butyl 2-(octylamino)acetate (CID 115567498) is butyl 2-(octylamino)acetate.
What is the SMILES notation for butyl 2-(octylamino)acetate?
The canonical SMILES for butyl 2-(octylamino)acetate is CCCCCCCCNCC(=O)OCCCC.
What is the InChIKey of butyl 2-(octylamino)acetate?
The InChIKey is ADSHRUDJHURZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-7-8-9-10-11-15-13-14(16)17-12-6-4-2/h15H,3-13H2,1-2H3.
What are the key properties of butyl 2-(octylamino)acetate?
butyl 2-(octylamino)acetate has a molecular weight of 243.39 g/mol, XLogP of 3.28, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(octylamino)acetate is sourced from PubChem (CID 115567498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).