N-butan-2-yl-N-butyl-4-chlorobutanamide

C12H24ClNO — CID 60660006

IUPACN-butan-2-yl-N-butyl-4-chlorobutanamide
SMILESCCCCN(C(=O)CCCCl)C(C)CC
InChIInChI=1S/C12H24ClNO/c1-4-6-10-14(11(3)5-2)12(15)8-7-9-13/h11H,4-10H2,1-3H3
InChIKeyAVCDLYYGIBMHEL-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.43
Rot. Bonds8

About N-butan-2-yl-N-butyl-4-chlorobutanamide

N-butan-2-yl-N-butyl-4-chlorobutanamide (PubChem CID 60660006) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-chlorobutanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-chlorobutanamide
PubChem CID60660006
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-butan-2-yl-N-butyl-4-chlorobutanamide
SMILESCCCCN(C(=O)CCCCl)C(C)CC
InChIInChI=1S/C12H24ClNO/c1-4-6-10-14(11(3)5-2)12(15)8-7-9-13/h11H,4-10H2,1-3H3
InChIKeyAVCDLYYGIBMHEL-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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 N-butan-2-yl-N-butyl-4-chlorobutanamide?
The IUPAC name of N-butan-2-yl-N-butyl-4-chlorobutanamide (CID 60660006) is N-butan-2-yl-N-butyl-4-chlorobutanamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-chlorobutanamide?
The canonical SMILES for N-butan-2-yl-N-butyl-4-chlorobutanamide is CCCCN(C(=O)CCCCl)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-4-chlorobutanamide?
The InChIKey is AVCDLYYGIBMHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-4-6-10-14(11(3)5-2)12(15)8-7-9-13/h11H,4-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-4-chlorobutanamide?
N-butan-2-yl-N-butyl-4-chlorobutanamide has a molecular weight of 233.78 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-chlorobutanamide is sourced from PubChem (CID 60660006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).