N-[3-(2-chloroethoxy)propyl]butanamide

C9H18ClNO2 — CID 106306571

IUPACN-[3-(2-chloroethoxy)propyl]butanamide
SMILESCCCC(=O)NCCCOCCCl
InChIInChI=1S/C9H18ClNO2/c1-2-4-9(12)11-6-3-7-13-8-5-10/h2-8H2,1H3,(H,11,12)
InChIKeyUKOJVEFTMQQQAW-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.55
Rot. Bonds8

About N-[3-(2-chloroethoxy)propyl]butanamide

N-[3-(2-chloroethoxy)propyl]butanamide (PubChem CID 106306571) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]butanamide
PubChem CID106306571
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC NameN-[3-(2-chloroethoxy)propyl]butanamide
SMILESCCCC(=O)NCCCOCCCl
InChIInChI=1S/C9H18ClNO2/c1-2-4-9(12)11-6-3-7-13-8-5-10/h2-8H2,1H3,(H,11,12)
InChIKeyUKOJVEFTMQQQAW-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.55
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

N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
CID 106306751
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
N'-[3-[2-[2-[3-(3-chloropropanoylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 126550925
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
N-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[4-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-chloroethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]butanoylamino]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl]-2-hexyldecanamide
CID 171591959
N-[3-(2,3-dimethylbutoxy)propyl]butanamide
CID 170407849
ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
CID 156794458
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
N'-(3-propoxypropyl)butanediamide
CID 153375512

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]butanamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]butanamide (CID 106306571) is N-[3-(2-chloroethoxy)propyl]butanamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]butanamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]butanamide is CCCC(=O)NCCCOCCCl.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]butanamide?
The InChIKey is UKOJVEFTMQQQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-2-4-9(12)11-6-3-7-13-8-5-10/h2-8H2,1H3,(H,11,12).
What are the key properties of N-[3-(2-chloroethoxy)propyl]butanamide?
N-[3-(2-chloroethoxy)propyl]butanamide has a molecular weight of 207.70 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]butanamide is sourced from PubChem (CID 106306571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).