4-chloro-N-(2,3,3-trimethylbutyl)butanamide

C11H22ClNO — CID 83142123

IUPAC4-chloro-N-(2,3,3-trimethylbutyl)butanamide
SMILESCC(CNC(=O)CCCCl)C(C)(C)C
InChIInChI=1S/C11H22ClNO/c1-9(11(2,3)4)8-13-10(14)6-5-7-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyJTMRXAKBSXSIJR-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.80
Rot. Bonds5

About 4-chloro-N-(2,3,3-trimethylbutyl)butanamide

4-chloro-N-(2,3,3-trimethylbutyl)butanamide (PubChem CID 83142123) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-chloro-N-(2,3,3-trimethylbutyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2,3,3-trimethylbutyl)butanamide
PubChem CID83142123
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-chloro-N-(2,3,3-trimethylbutyl)butanamide
SMILESCC(CNC(=O)CCCCl)C(C)(C)C
InChIInChI=1S/C11H22ClNO/c1-9(11(2,3)4)8-13-10(14)6-5-7-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyJTMRXAKBSXSIJR-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.80
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-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904773
5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
CID 107216739
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
5-chloro-N-(3,3-dimethylbutan-2-yl)pentanamide
CID 115749589
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
2-(cyclopentylamino)-N-(2,3,3-trimethylbutyl)acetamide
CID 83142014
(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
CID 78965876

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3,3-trimethylbutyl)butanamide?
The IUPAC name of 4-chloro-N-(2,3,3-trimethylbutyl)butanamide (CID 83142123) is 4-chloro-N-(2,3,3-trimethylbutyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2,3,3-trimethylbutyl)butanamide?
The canonical SMILES for 4-chloro-N-(2,3,3-trimethylbutyl)butanamide is CC(CNC(=O)CCCCl)C(C)(C)C.
What is the InChIKey of 4-chloro-N-(2,3,3-trimethylbutyl)butanamide?
The InChIKey is JTMRXAKBSXSIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-9(11(2,3)4)8-13-10(14)6-5-7-12/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-chloro-N-(2,3,3-trimethylbutyl)butanamide?
4-chloro-N-(2,3,3-trimethylbutyl)butanamide has a molecular weight of 219.76 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3,3-trimethylbutyl)butanamide is sourced from PubChem (CID 83142123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).