2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide

C48H96N2O — CID 135182766

IUPAC2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide
SMILESC=C(CCCCCCCC)NCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H96N2O/c1-5-8-11-14-17-19-21-23-25-27-29-31-33-35-38-41-44-50(48(51)46-49-47(4)43-40-37-16-13-10-7-3)45-42-39-36-34-32-30-28-26-24-22-20-18-15-12-9-6-2/h49H,4-46H2,1-3H3
InChIKeyBCMJYYVOCHZRKH-UHFFFAOYSA-N
MW717.31 g/mol
LogP16.19
Rot. Bonds44

About 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide

2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide (PubChem CID 135182766) has the molecular formula C48H96N2O and a molecular weight of 717.31 g/mol. Its IUPAC name is 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide.

Molecular Properties

Compound Name2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide
PubChem CID135182766
Molecular FormulaC48H96N2O
Molecular Weight717.31 g/mol
Exact Mass716.75
IUPAC Name2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide
SMILESC=C(CCCCCCCC)NCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H96N2O/c1-5-8-11-14-17-19-21-23-25-27-29-31-33-35-38-41-44-50(48(51)46-49-47(4)43-40-37-16-13-10-7-3)45-42-39-36-34-32-30-28-26-24-22-20-18-15-12-9-6-2/h49H,4-46H2,1-3H3
InChIKeyBCMJYYVOCHZRKH-UHFFFAOYSA-N
XLogP16.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds44
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.31
LogP ≤ 516.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide?
The IUPAC name of 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide (CID 135182766) is 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide.
What is the SMILES notation for 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide?
The canonical SMILES for 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide is C=C(CCCCCCCC)NCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide?
The InChIKey is BCMJYYVOCHZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H96N2O/c1-5-8-11-14-17-19-21-23-25-27-29-31-33-35-38-41-44-50(48(51)46-49-47(4)43-40-37-16-13-10-7-3)45-42-39-36-34-32-30-28-26-24-22-20-18-15-12-9-6-2/h49H,4-46H2,1-3H3.
What are the key properties of 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide?
2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide has a molecular weight of 717.31 g/mol, XLogP of 16.19, 44 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dec-1-en-2-ylamino)-N,N-dioctadecylacetamide is sourced from PubChem (CID 135182766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).