N-(2-ethylbutyl)-3-(furan-2-yl)propanamide

C13H21NO2 — CID 115612823

IUPACN-(2-ethylbutyl)-3-(furan-2-yl)propanamide
SMILESCCC(CC)CNC(=O)CCc1ccco1
InChIInChI=1S/C13H21NO2/c1-3-11(4-2)10-14-13(15)8-7-12-6-5-9-16-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,14,15)
InChIKeyOABDWWINDSHLKG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.76
Rot. Bonds7

About N-(2-ethylbutyl)-3-(furan-2-yl)propanamide

N-(2-ethylbutyl)-3-(furan-2-yl)propanamide (PubChem CID 115612823) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-(furan-2-yl)propanamide
PubChem CID115612823
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(2-ethylbutyl)-3-(furan-2-yl)propanamide
SMILESCCC(CC)CNC(=O)CCc1ccco1
InChIInChI=1S/C13H21NO2/c1-3-11(4-2)10-14-13(15)8-7-12-6-5-9-16-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,14,15)
InChIKeyOABDWWINDSHLKG-UHFFFAOYSA-N
XLogP2.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
CID 76952808
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415
ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 38924524
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide
CID 110312529
2-[3-(furan-2-yl)propanoylamino]-3-methylpentanoic acid
CID 43183434
3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
CID 25135773

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(2-ethylbutyl)-3-(furan-2-yl)propanamide (CID 115612823) is N-(2-ethylbutyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(2-ethylbutyl)-3-(furan-2-yl)propanamide is CCC(CC)CNC(=O)CCc1ccco1.
What is the InChIKey of N-(2-ethylbutyl)-3-(furan-2-yl)propanamide?
The InChIKey is OABDWWINDSHLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-11(4-2)10-14-13(15)8-7-12-6-5-9-16-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-ethylbutyl)-3-(furan-2-yl)propanamide?
N-(2-ethylbutyl)-3-(furan-2-yl)propanamide has a molecular weight of 223.32 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 115612823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).