6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide

C12H24ClNO — CID 91693797

IUPAC6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide
SMILESCCN(CC(C)C)C(=O)CCCCCCl
InChIInChI=1S/C12H24ClNO/c1-4-14(10-11(2)3)12(15)8-6-5-7-9-13/h11H,4-10H2,1-3H3
InChIKeyOSOSAQZINRJNMN-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.29
Rot. Bonds8

About 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide

6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide (PubChem CID 91693797) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide
PubChem CID91693797
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide
SMILESCCN(CC(C)C)C(=O)CCCCCCl
InChIInChI=1S/C12H24ClNO/c1-4-14(10-11(2)3)12(15)8-6-5-7-9-13/h11H,4-10H2,1-3H3
InChIKeyOSOSAQZINRJNMN-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, N,N-dihexyl-3-chloro-
CID 533192
Hexanamide, N,N-dibutyl-6-chloro-
CID 533342
Hexanamide, N,N-dihexyl-6-chloro-
CID 533344
Hexanamide, N,N-bis(2-ethylhexyl)-6-chloro-
CID 533345
Hexanamide, N,N-dioctyl-6-chloro-
CID 533346
Hexanamide, N,N-dinonyl-6-chloro-
CID 533347
Hexanamide, N,N-didecyl-6-chloro-
CID 533348
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-pentyl-
CID 91692658
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-(3-methylbutyl)-
CID 91692659
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-isobutyl-
CID 91692672
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-ethyl-
CID 91692686
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-hexyl-
CID 91692687

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide?
The IUPAC name of 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide (CID 91693797) is 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide?
The canonical SMILES for 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide is CCN(CC(C)C)C(=O)CCCCCCl.
What is the InChIKey of 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide?
The InChIKey is OSOSAQZINRJNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-4-14(10-11(2)3)12(15)8-6-5-7-9-13/h11H,4-10H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide?
6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide has a molecular weight of 233.78 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 91693797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).