2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide

C17H20ClNO4 — CID 86925216

IUPAC2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C17H20ClNO4/c1-13(23-16-8-3-2-7-15(16)18)17(20)19-9-5-10-21-12-14-6-4-11-22-14/h2-4,6-8,11,13H,5,9-10,12H2,1H3,(H,19,20)
InChIKeyBHTIRINOGUFOBE-UHFFFAOYSA-N
MW337.80 g/mol
LogP3.42
Rot. Bonds9

About 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide

2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide (PubChem CID 86925216) has the molecular formula C17H20ClNO4 and a molecular weight of 337.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
PubChem CID86925216
Molecular FormulaC17H20ClNO4
Molecular Weight337.80 g/mol
Exact Mass337.11
IUPAC Name2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C17H20ClNO4/c1-13(23-16-8-3-2-7-15(16)18)17(20)19-9-5-10-21-12-14-6-4-11-22-14/h2-4,6-8,11,13H,5,9-10,12H2,1H3,(H,19,20)
InChIKeyBHTIRINOGUFOBE-UHFFFAOYSA-N
XLogP3.42
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-2-(4-phenylphenoxy)propanamide
CID 55615781
1-[2-(2-chlorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111499771
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
N-[3-(furan-2-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 53286312
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
CID 53283656
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 4932109
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide (CID 86925216) is 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NCCCOCc1ccco1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The InChIKey is BHTIRINOGUFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4/c1-13(23-16-8-3-2-7-15(16)18)17(20)19-9-5-10-21-12-14-6-4-11-22-14/h2-4,6-8,11,13H,5,9-10,12H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide has a molecular weight of 337.80 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide is sourced from PubChem (CID 86925216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).