4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide

C12H24ClNO — CID 102904773

IUPAC4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC(C)C(CNC(=O)CCCCl)C(C)C
InChIInChI=1S/C12H24ClNO/c1-9(2)11(10(3)4)8-14-12(15)6-5-7-13/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyAGDXUMUBNYBHRY-UHFFFAOYSA-N
MW233.78 g/mol
LogP3.05
Rot. Bonds7

About 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide

4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide (PubChem CID 102904773) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
PubChem CID102904773
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC(C)C(CNC(=O)CCCCl)C(C)C
InChIInChI=1S/C12H24ClNO/c1-9(2)11(10(3)4)8-14-12(15)6-5-7-13/h9-11H,5-8H2,1-4H3,(H,14,15)
InChIKeyAGDXUMUBNYBHRY-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2,3,3-trimethylbutyl)butanamide
CID 83142123
5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
CID 107216739
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
CID 102905922
N-butyl-4-chlorobutanamide
CID 4218503
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
CID 102906601
5-chloro-N-(2,3-dihydroxypropyl)pentanamide
CID 66168263
N-(4-chloro-2-methylbutyl)nonanamide
CID 114306121
N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide
CID 108573864
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The IUPAC name of 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide (CID 102904773) is 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide is CC(C)C(CNC(=O)CCCCl)C(C)C.
What is the InChIKey of 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The InChIKey is AGDXUMUBNYBHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-9(2)11(10(3)4)8-14-12(15)6-5-7-13/h9-11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide has a molecular weight of 233.78 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-2-propan-2-ylbutyl)butanamide is sourced from PubChem (CID 102904773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).