N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide

C14H20ClNO2 — CID 113271747

IUPACN-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCOCCCl
InChIInChI=1S/C14H20ClNO2/c15-9-11-18-12-10-16-14(17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,17)
InChIKeyXTGAJQSFLCIEDD-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.38
Rot. Bonds9

About N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide

N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide (PubChem CID 113271747) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
PubChem CID113271747
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCOCCCl
InChIInChI=1S/C14H20ClNO2/c15-9-11-18-12-10-16-14(17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,17)
InChIKeyXTGAJQSFLCIEDD-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.38
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

6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-[2-(2-aminoethoxy)ethyl]-4-(4-methylphenyl)butanamide
CID 82354281
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 114297434
N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
CID 114297493
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide (CID 113271747) is N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide?
The InChIKey is XTGAJQSFLCIEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-9-11-18-12-10-16-14(17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,17).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide?
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide has a molecular weight of 269.77 g/mol, XLogP of 2.38, 9 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]-4-phenylbutanamide is sourced from PubChem (CID 113271747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).