N,N-dibutyl-3-chloro-2-methylpropanamide

C12H24ClNO — CID 62728082

IUPACN,N-dibutyl-3-chloro-2-methylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)CCl
InChIInChI=1S/C12H24ClNO/c1-4-6-8-14(9-7-5-2)12(15)11(3)10-13/h11H,4-10H2,1-3H3
InChIKeyYYGGDGSPJADOAY-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.29
Rot. Bonds8

About N,N-dibutyl-3-chloro-2-methylpropanamide

N,N-dibutyl-3-chloro-2-methylpropanamide (PubChem CID 62728082) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N,N-dibutyl-3-chloro-2-methylpropanamide.

Molecular Properties

Compound NameN,N-dibutyl-3-chloro-2-methylpropanamide
PubChem CID62728082
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN,N-dibutyl-3-chloro-2-methylpropanamide
SMILESCCCCN(CCCC)C(=O)C(C)CCl
InChIInChI=1S/C12H24ClNO/c1-4-6-8-14(9-7-5-2)12(15)11(3)10-13/h11H,4-10H2,1-3H3
InChIKeyYYGGDGSPJADOAY-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
N,N-dibutyl-2-methylpentanamide
CID 2904869
3-chloro-N-[2-(dimethylamino)ethyl]-2-methyl-N-propylpropanamide
CID 62727054
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
2-chloro-N,N-dihexylpropanamide
CID 533081
3-chloro-2-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62727427
4-amino-2-methyl-N,N-dipentylbutanamide
CID 80542996
N-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003
2,2-dichloro-N,N-dihexylacetamide
CID 533320
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide
CID 62852561
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 79389720

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-chloro-2-methylpropanamide?
The IUPAC name of N,N-dibutyl-3-chloro-2-methylpropanamide (CID 62728082) is N,N-dibutyl-3-chloro-2-methylpropanamide.
What is the SMILES notation for N,N-dibutyl-3-chloro-2-methylpropanamide?
The canonical SMILES for N,N-dibutyl-3-chloro-2-methylpropanamide is CCCCN(CCCC)C(=O)C(C)CCl.
What is the InChIKey of N,N-dibutyl-3-chloro-2-methylpropanamide?
The InChIKey is YYGGDGSPJADOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-4-6-8-14(9-7-5-2)12(15)11(3)10-13/h11H,4-10H2,1-3H3.
What are the key properties of N,N-dibutyl-3-chloro-2-methylpropanamide?
N,N-dibutyl-3-chloro-2-methylpropanamide 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 N,N-dibutyl-3-chloro-2-methylpropanamide is sourced from PubChem (CID 62728082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).