N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide

C9H18ClNO2 — CID 114297478

IUPACN-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCOCCCl
InChIInChI=1S/C9H18ClNO2/c1-8(2)7-9(12)11-4-6-13-5-3-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyGCUZZFNIRBPQJK-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.40
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide

N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide (PubChem CID 114297478) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
PubChem CID114297478
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCOCCCl
InChIInChI=1S/C9H18ClNO2/c1-8(2)7-9(12)11-4-6-13-5-3-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyGCUZZFNIRBPQJK-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
2-chloroethyl N-[2-(3-methylbutanoylamino)ethyl]carbamate
CID 108570931
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 164557272
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
CID 155077240
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-(2-chloroethoxy)ethyl]-3-methylsulfanylpropanamide
CID 114297749

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide (CID 114297478) is N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide?
The InChIKey is GCUZZFNIRBPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-8(2)7-9(12)11-4-6-13-5-3-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide?
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide has a molecular weight of 207.70 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide is sourced from PubChem (CID 114297478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).