tetradecyl 2-(ethoxycarbonylamino)pentanoate

C22H43NO4 — CID 91718836

IUPACtetradecyl 2-(ethoxycarbonylamino)pentanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C22H43NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-27-21(24)20(18-5-2)23-22(25)26-6-3/h20H,4-19H2,1-3H3,(H,23,25)
InChIKeyOKWHNEMGFDLEJH-UHFFFAOYSA-N
MW385.59 g/mol
LogP6.15
Rot. Bonds18

About tetradecyl 2-(ethoxycarbonylamino)pentanoate

tetradecyl 2-(ethoxycarbonylamino)pentanoate (PubChem CID 91718836) has the molecular formula C22H43NO4 and a molecular weight of 385.59 g/mol. Its IUPAC name is tetradecyl 2-(ethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nametetradecyl 2-(ethoxycarbonylamino)pentanoate
PubChem CID91718836
Molecular FormulaC22H43NO4
Molecular Weight385.59 g/mol
Exact Mass385.32
IUPAC Nametetradecyl 2-(ethoxycarbonylamino)pentanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C22H43NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-27-21(24)20(18-5-2)23-22(25)26-6-3/h20H,4-19H2,1-3H3,(H,23,25)
InChIKeyOKWHNEMGFDLEJH-UHFFFAOYSA-N
XLogP6.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723079
octadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723081
pentadecyl 2-(ethoxycarbonylamino)hexanoate
CID 91723089
heptyl 2-(butoxycarbonylamino)octanoate
CID 91734808
hexadecyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726559
heptyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726565
hexyl 2-(2-chloroethoxycarbonylamino)pentanoate
CID 91727224
octyl 2-(2-chloroethoxycarbonylamino)pentanoate
CID 91727226
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
nonyl 2-(prop-2-enoxycarbonylamino)pentanoate
CID 91722486
heptyl 2-(2,2-dimethylpropoxycarbonylamino)pentanoate
CID 91729816
decyl 2-(ethoxycarbonylamino)-4-methylpentanoate
CID 6424356

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-(ethoxycarbonylamino)pentanoate?
The IUPAC name of tetradecyl 2-(ethoxycarbonylamino)pentanoate (CID 91718836) is tetradecyl 2-(ethoxycarbonylamino)pentanoate.
What is the SMILES notation for tetradecyl 2-(ethoxycarbonylamino)pentanoate?
The canonical SMILES for tetradecyl 2-(ethoxycarbonylamino)pentanoate is CCCCCCCCCCCCCCOC(=O)C(CCC)NC(=O)OCC.
What is the InChIKey of tetradecyl 2-(ethoxycarbonylamino)pentanoate?
The InChIKey is OKWHNEMGFDLEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19-27-21(24)20(18-5-2)23-22(25)26-6-3/h20H,4-19H2,1-3H3,(H,23,25).
What are the key properties of tetradecyl 2-(ethoxycarbonylamino)pentanoate?
tetradecyl 2-(ethoxycarbonylamino)pentanoate has a molecular weight of 385.59 g/mol, XLogP of 6.15, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-(ethoxycarbonylamino)pentanoate is sourced from PubChem (CID 91718836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).