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'}

Analyze 4-chloro-N,N-bis(2-methylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-methylpropyl)butanamide
CID 4381445
4-(Chloromethyl)-1-methylpyrrolidin-2-one
CID 130407993
Propanamide, N,N-dibutyl-3-chloro-
CID 533190
Hexanamide, N,N-dibutyl-6-chloro-
CID 533342
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-(3-methylbutyl)-
CID 91692659
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-isobutyl-
CID 91692672
Hexanamide, 6-chloro-N-ethyl-N-isobutyl-
CID 91693797
Hexanamide, 6-chloro-N-ethyl-N-3-methylbutyl-
CID 91693882
Hexanamide, 6-chloro-N,N-diethyl-
CID 91693890
Hexanamide, 6-chloro-N-ethyl-N-butyl-
CID 91693896
Hexanamide, 6-chloro-N-ethyl-N-propyl-
CID 91693897
Hexanamide, 6-chloro-N-ethyl-N-pentyl-
CID 91693912

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).