N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide

C17H21NO3 — CID 53283656

IUPACN-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)NCCCc1ccco1
InChIInChI=1S/C17H21NO3/c1-13-7-3-4-10-16(13)21-14(2)17(19)18-11-5-8-15-9-6-12-20-15/h3-4,6-7,9-10,12,14H,5,8,11H2,1-2H3,(H,18,19)
InChIKeyVUONPPACADGODJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.10
Rot. Bonds7

About N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide

N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide (PubChem CID 53283656) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
PubChem CID53283656
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OC(C)C(=O)NCCCc1ccco1
InChIInChI=1S/C17H21NO3/c1-13-7-3-4-10-16(13)21-14(2)17(19)18-11-5-8-15-9-6-12-20-15/h3-4,6-7,9-10,12,14H,5,8,11H2,1-2H3,(H,18,19)
InChIKeyVUONPPACADGODJ-UHFFFAOYSA-N
XLogP3.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 53286312
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 92685168
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 28635367
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86925216
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53286413
2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
CID 107655743
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide (CID 53283656) is N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1OC(C)C(=O)NCCCc1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is VUONPPACADGODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-7-3-4-10-16(13)21-14(2)17(19)18-11-5-8-15-9-6-12-20-15/h3-4,6-7,9-10,12,14H,5,8,11H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide?
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 287.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 53283656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).