2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate

C38H74N2O5 — CID 176872526

IUPAC2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate
SMILESCCCCCCCCCCCCC(CC)C(=O)OCCN(CCOC(=O)C(CC)CCCCCCCCCCCC)C(=O)CN
InChIInChI=1S/C38H74N2O5/c1-5-9-11-13-15-17-19-21-23-25-27-34(7-3)37(42)44-31-29-40(36(41)33-39)30-32-45-38(43)35(8-4)28-26-24-22-20-18-16-14-12-10-6-2/h34-35H,5-33,39H2,1-4H3
InChIKeyDWARAXKNNLHODL-UHFFFAOYSA-N
MW639.02 g/mol
LogP9.53
Rot. Bonds33

About 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate

2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate (PubChem CID 176872526) has the molecular formula C38H74N2O5 and a molecular weight of 639.02 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate
PubChem CID176872526
Molecular FormulaC38H74N2O5
Molecular Weight639.02 g/mol
Exact Mass638.56
IUPAC Name2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate
SMILESCCCCCCCCCCCCC(CC)C(=O)OCCN(CCOC(=O)C(CC)CCCCCCCCCCCC)C(=O)CN
InChIInChI=1S/C38H74N2O5/c1-5-9-11-13-15-17-19-21-23-25-27-34(7-3)37(42)44-31-29-40(36(41)33-39)30-32-45-38(43)35(8-4)28-26-24-22-20-18-16-14-12-10-6-2/h34-35H,5-33,39H2,1-4H3
InChIKeyDWARAXKNNLHODL-UHFFFAOYSA-N
XLogP9.53
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.02
LogP ≤ 59.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminoacetyl)-[2-(2-nonylundecanoyloxy)ethyl]amino]ethyl 2-nonylundecanoate
CID 176872446
2-[butanoyl-[2-(2-nonylundecanoyloxy)ethyl]amino]ethyl 2-nonylundecanoate
CID 176950417
2-[2-aminopropanoyl-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate;methanethiol
CID 176950492
decyl 2-ethyldecanoate
CID 22665194
hexadecyl 2-ethyldecanoate
CID 22665192
ethyl 2-ethyldocosanoate
CID 175304380
2-[4-aminopentanoyl-[2-(2-hexyldecanoyloxy)ethyl]amino]ethyl 2-hexyldecanoate
CID 176872667
2-[(2-bromoacetyl)-ethylamino]ethyl 2-hexyldecanoate
CID 176950423
2-[3-[ethyl(propyl)amino]butanoyl-[2-(2-nonylundecanoyloxy)ethyl]amino]ethyl 2-nonylundecanoate
CID 176872776
[6-azaniumyl-1-[bis[2-(2-hexyldecanoyloxy)ethyl]amino]-1-oxohexan-2-yl]azanium
CID 176872402
decyl 2-hexylpentadecanoate
CID 175318740
decyl 2-octyltetradecanoate
CID 87368194

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate?
The IUPAC name of 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate (CID 176872526) is 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate.
What is the SMILES notation for 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate?
The canonical SMILES for 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate is CCCCCCCCCCCCC(CC)C(=O)OCCN(CCOC(=O)C(CC)CCCCCCCCCCCC)C(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate?
The InChIKey is DWARAXKNNLHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74N2O5/c1-5-9-11-13-15-17-19-21-23-25-27-34(7-3)37(42)44-31-29-40(36(41)33-39)30-32-45-38(43)35(8-4)28-26-24-22-20-18-16-14-12-10-6-2/h34-35H,5-33,39H2,1-4H3.
What are the key properties of 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate?
2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate has a molecular weight of 639.02 g/mol, XLogP of 9.53, 33 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-[2-(2-ethyltetradecanoyloxy)ethyl]amino]ethyl 2-ethyltetradecanoate is sourced from PubChem (CID 176872526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).