tridecan-2-yl 2-formamidoacetate

C16H31NO3 — CID 76594869

IUPACtridecan-2-yl 2-formamidoacetate
SMILESCCCCCCCCCCCC(C)OC(=O)CNC=O
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-15(2)20-16(19)13-17-14-18/h14-15H,3-13H2,1-2H3,(H,17,18)
InChIKeyHGXFAPXJYKCXEQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.59
Rot. Bonds14

About tridecan-2-yl 2-formamidoacetate

tridecan-2-yl 2-formamidoacetate (PubChem CID 76594869) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tridecan-2-yl 2-formamidoacetate.

Molecular Properties

Compound Nametridecan-2-yl 2-formamidoacetate
PubChem CID76594869
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametridecan-2-yl 2-formamidoacetate
SMILESCCCCCCCCCCCC(C)OC(=O)CNC=O
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-15(2)20-16(19)13-17-14-18/h14-15H,3-13H2,1-2H3,(H,17,18)
InChIKeyHGXFAPXJYKCXEQ-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxo-2-tetradecan-2-yloxyethyl)amino]acetate
CID 23266850
octan-2-yl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107436983
octan-2-yl 2-(prop-2-ynylamino)acetate
CID 79272987
hexadecan-2-yl propanoate
CID 154494346
[(2S)-dodecan-2-yl] propanoate
CID 162853259
heptadecan-2-yl tetradecanoate
CID 54293612
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
dioctan-2-yl pentanedioate
CID 71404705
nonan-2-yl butanoate
CID 551252

Frequently Asked Questions

What is the IUPAC name of tridecan-2-yl 2-formamidoacetate?
The IUPAC name of tridecan-2-yl 2-formamidoacetate (CID 76594869) is tridecan-2-yl 2-formamidoacetate.
What is the SMILES notation for tridecan-2-yl 2-formamidoacetate?
The canonical SMILES for tridecan-2-yl 2-formamidoacetate is CCCCCCCCCCCC(C)OC(=O)CNC=O.
What is the InChIKey of tridecan-2-yl 2-formamidoacetate?
The InChIKey is HGXFAPXJYKCXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-12-15(2)20-16(19)13-17-14-18/h14-15H,3-13H2,1-2H3,(H,17,18).
What are the key properties of tridecan-2-yl 2-formamidoacetate?
tridecan-2-yl 2-formamidoacetate has a molecular weight of 285.43 g/mol, XLogP of 3.59, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridecan-2-yl 2-formamidoacetate is sourced from PubChem (CID 76594869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).