4-chloro-N,N-bis(2-methylpropyl)butanamide

C12H24ClNO — CID 5169445

IUPAC4-chloro-N,N-bis(2-methylpropyl)butanamide
SMILESCC(C)CN(CC(C)C)C(=O)CCCCl
InChIInChI=1S/C12H24ClNO/c1-10(2)8-14(9-11(3)4)12(15)6-5-7-13/h10-11H,5-9H2,1-4H3
InChIKeyZAOYOLSPPPCZNR-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.15
Rot. Bonds7

About 4-chloro-N,N-bis(2-methylpropyl)butanamide

4-chloro-N,N-bis(2-methylpropyl)butanamide (PubChem CID 5169445) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-methylpropyl)butanamide
PubChem CID5169445
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name4-chloro-N,N-bis(2-methylpropyl)butanamide
SMILESCC(C)CN(CC(C)C)C(=O)CCCCl
InChIInChI=1S/C12H24ClNO/c1-10(2)8-14(9-11(3)4)12(15)6-5-7-13/h10-11H,5-9H2,1-4H3
InChIKeyZAOYOLSPPPCZNR-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.15
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 4-chloro-N,N-bis(2-methylpropyl)butanamide?
The IUPAC name of 4-chloro-N,N-bis(2-methylpropyl)butanamide (CID 5169445) is 4-chloro-N,N-bis(2-methylpropyl)butanamide.
What is the SMILES notation for 4-chloro-N,N-bis(2-methylpropyl)butanamide?
The canonical SMILES for 4-chloro-N,N-bis(2-methylpropyl)butanamide is CC(C)CN(CC(C)C)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N,N-bis(2-methylpropyl)butanamide?
The InChIKey is ZAOYOLSPPPCZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-10(2)8-14(9-11(3)4)12(15)6-5-7-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-chloro-N,N-bis(2-methylpropyl)butanamide?
4-chloro-N,N-bis(2-methylpropyl)butanamide has a molecular weight of 233.78 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(2-methylpropyl)butanamide is sourced from PubChem (CID 5169445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).