N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide

C17H22N2O3 — CID 86914416

IUPACN-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)NCCCOCc1ccco1)c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-19(15-7-3-2-4-8-15)13-17(20)18-10-6-11-21-14-16-9-5-12-22-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,18,20)
InChIKeyPOWIFWSUIMCAAB-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.44
Rot. Bonds9

About N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide

N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide (PubChem CID 86914416) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
PubChem CID86914416
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
SMILESCN(CC(=O)NCCCOCc1ccco1)c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-19(15-7-3-2-4-8-15)13-17(20)18-10-6-11-21-14-16-9-5-12-22-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,18,20)
InChIKeyPOWIFWSUIMCAAB-UHFFFAOYSA-N
XLogP2.44
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.44
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

4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide
CID 51296872
2-[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(2-phenylethyl)acetamide
CID 111400361
N-[3-(furan-2-ylmethoxy)propyl]-2-(4-phenylphenoxy)propanamide
CID 55615781
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
CID 24574934

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide (CID 86914416) is N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide is CN(CC(=O)NCCCOCc1ccco1)c1ccccc1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide?
The InChIKey is POWIFWSUIMCAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19(15-7-3-2-4-8-15)13-17(20)18-10-6-11-21-14-16-9-5-12-22-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3,(H,18,20).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide?
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide is sourced from PubChem (CID 86914416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).