2-chloro-N,N-bis(2-ethylhexyl)acetamide

C18H36ClNO — CID 533170

IUPAC2-chloro-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCl
InChIInChI=1S/C18H36ClNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3
InChIKeyGTLDINRZFOGPQE-UHFFFAOYSA-N
MW317.95 g/mol
LogP5.49
Rot. Bonds13

About 2-chloro-N,N-bis(2-ethylhexyl)acetamide

2-chloro-N,N-bis(2-ethylhexyl)acetamide (PubChem CID 533170) has the molecular formula C18H36ClNO and a molecular weight of 317.95 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-ethylhexyl)acetamide
PubChem CID533170
Molecular FormulaC18H36ClNO
Molecular Weight317.95 g/mol
Exact Mass317.25
IUPAC Name2-chloro-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCl
InChIInChI=1S/C18H36ClNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3
InChIKeyGTLDINRZFOGPQE-UHFFFAOYSA-N
XLogP5.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.95
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(2-ethylhexyl)acetamide?
The IUPAC name of 2-chloro-N,N-bis(2-ethylhexyl)acetamide (CID 533170) is 2-chloro-N,N-bis(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-chloro-N,N-bis(2-ethylhexyl)acetamide?
The canonical SMILES for 2-chloro-N,N-bis(2-ethylhexyl)acetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)CCl.
What is the InChIKey of 2-chloro-N,N-bis(2-ethylhexyl)acetamide?
The InChIKey is GTLDINRZFOGPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36ClNO/c1-5-9-11-16(7-3)14-20(18(21)13-19)15-17(8-4)12-10-6-2/h16-17H,5-15H2,1-4H3.
What are the key properties of 2-chloro-N,N-bis(2-ethylhexyl)acetamide?
2-chloro-N,N-bis(2-ethylhexyl)acetamide has a molecular weight of 317.95 g/mol, XLogP of 5.49, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(2-ethylhexyl)acetamide is sourced from PubChem (CID 533170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).