2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide

C12H24ClNO — CID 143383896

IUPAC2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)C(C)CC(C)CC
InChIInChI=1S/C12H24ClNO/c1-5-7-14(12(15)9-13)11(4)8-10(3)6-2/h10-11H,5-9H2,1-4H3
InChIKeyGSBUKGCWHWDYMG-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.29
Rot. Bonds7

About 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide

2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide (PubChem CID 143383896) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide
PubChem CID143383896
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)CCl)C(C)CC(C)CC
InChIInChI=1S/C12H24ClNO/c1-5-7-14(12(15)9-13)11(4)8-10(3)6-2/h10-11H,5-9H2,1-4H3
InChIKeyGSBUKGCWHWDYMG-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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

2-chloro-N-cyclohexyl-N-methylacetamide
CID 1807193
Chloroacetamide, N,N-bis(2-ethylhexyl)-
CID 533170
Acetamide, 2-chloro-N-(1-methyl-2-propylpentyl)-
CID 3040307
2-chloro-N,N-bis(3-methylbutyl)acetamide
CID 2386089
2-chloro-N-(cyclohexylmethyl)-N-methylacetamide
CID 50988963
2-chloro-N-cyclohexyl-N-ethylacetamide
CID 2392399
Chloroacetamide, N,N-dihexyl-
CID 533169
2-chloro-N-(2-methylpropyl)-N-(propan-2-yl)acetamide
CID 60809013
2-chloro-N-ethyl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 67073957
Propanamide, N,N-bis(2-ethylhexyl)-2-chloro-
CID 533083
Chloroacetamide, N-ethyl-N-3-methylbutyl-
CID 91693903
Chloroacetamide, N-ethyl-N-hexyl-
CID 91693905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide?
The IUPAC name of 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide (CID 143383896) is 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide?
The canonical SMILES for 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide is CCCN(C(=O)CCl)C(C)CC(C)CC.
What is the InChIKey of 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide?
The InChIKey is GSBUKGCWHWDYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-5-7-14(12(15)9-13)11(4)8-10(3)6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide?
2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide has a molecular weight of 233.78 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide is sourced from PubChem (CID 143383896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).