N-(3-butoxypropyl)-2-(furan-2-yl)acetamide

C13H21NO3 — CID 110484658

IUPACN-(3-butoxypropyl)-2-(furan-2-yl)acetamide
SMILESCCCCOCCCNC(=O)Cc1ccco1
InChIInChI=1S/C13H21NO3/c1-2-3-8-16-9-5-7-14-13(15)11-12-6-4-10-17-12/h4,6,10H,2-3,5,7-9,11H2,1H3,(H,14,15)
InChIKeyCJWBPWSBMQNSDQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.15
Rot. Bonds9

About N-(3-butoxypropyl)-2-(furan-2-yl)acetamide

N-(3-butoxypropyl)-2-(furan-2-yl)acetamide (PubChem CID 110484658) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-(furan-2-yl)acetamide
PubChem CID110484658
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(3-butoxypropyl)-2-(furan-2-yl)acetamide
SMILESCCCCOCCCNC(=O)Cc1ccco1
InChIInChI=1S/C13H21NO3/c1-2-3-8-16-9-5-7-14-13(15)11-12-6-4-10-17-12/h4,6,10H,2-3,5,7-9,11H2,1H3,(H,14,15)
InChIKeyCJWBPWSBMQNSDQ-UHFFFAOYSA-N
XLogP2.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.15
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

2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(furan-2-yl)acetamide
CID 110484706
1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111769874
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-(furan-2-yl)acetamide?
The IUPAC name of N-(3-butoxypropyl)-2-(furan-2-yl)acetamide (CID 110484658) is N-(3-butoxypropyl)-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-(furan-2-yl)acetamide?
The canonical SMILES for N-(3-butoxypropyl)-2-(furan-2-yl)acetamide is CCCCOCCCNC(=O)Cc1ccco1.
What is the InChIKey of N-(3-butoxypropyl)-2-(furan-2-yl)acetamide?
The InChIKey is CJWBPWSBMQNSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-3-8-16-9-5-7-14-13(15)11-12-6-4-10-17-12/h4,6,10H,2-3,5,7-9,11H2,1H3,(H,14,15).
What are the key properties of N-(3-butoxypropyl)-2-(furan-2-yl)acetamide?
N-(3-butoxypropyl)-2-(furan-2-yl)acetamide has a molecular weight of 239.31 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-(furan-2-yl)acetamide is sourced from PubChem (CID 110484658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).