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

C19H38ClNO — CID 533083

IUPAC2-chloro-N,N-bis(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)Cl
InChIInChI=1S/C19H38ClNO/c1-6-10-12-17(8-3)14-21(19(22)16(5)20)15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3
InChIKeyLUKYKNLMCMZSGG-UHFFFAOYSA-N
MW331.97 g/mol
LogP5.88
Rot. Bonds13

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

2-chloro-N,N-bis(2-ethylhexyl)propanamide (PubChem CID 533083) has the molecular formula C19H38ClNO and a molecular weight of 331.97 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-ethylhexyl)propanamide
PubChem CID533083
Molecular FormulaC19H38ClNO
Molecular Weight331.97 g/mol
Exact Mass331.26
IUPAC Name2-chloro-N,N-bis(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)Cl
InChIInChI=1S/C19H38ClNO/c1-6-10-12-17(8-3)14-21(19(22)16(5)20)15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3
InChIKeyLUKYKNLMCMZSGG-UHFFFAOYSA-N
XLogP5.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.97
LogP ≤ 55.88
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)propanamide?
The IUPAC name of 2-chloro-N,N-bis(2-ethylhexyl)propanamide (CID 533083) is 2-chloro-N,N-bis(2-ethylhexyl)propanamide.
What is the SMILES notation for 2-chloro-N,N-bis(2-ethylhexyl)propanamide?
The canonical SMILES for 2-chloro-N,N-bis(2-ethylhexyl)propanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N,N-bis(2-ethylhexyl)propanamide?
The InChIKey is LUKYKNLMCMZSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38ClNO/c1-6-10-12-17(8-3)14-21(19(22)16(5)20)15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3.
What are the key properties of 2-chloro-N,N-bis(2-ethylhexyl)propanamide?
2-chloro-N,N-bis(2-ethylhexyl)propanamide has a molecular weight of 331.97 g/mol, XLogP of 5.88, 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)propanamide is sourced from PubChem (CID 533083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).