N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide

C13H21NO2 — CID 78853140

IUPACN-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)C(C)c1ccco1
InChIInChI=1S/C13H21NO2/c1-10(2)7-8-13(15)14(4)11(3)12-6-5-9-16-12/h5-6,9-11H,7-8H2,1-4H3
InChIKeyRZSBGFYKMSXLOP-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.24
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide

N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide (PubChem CID 78853140) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
PubChem CID78853140
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)C(C)c1ccco1
InChIInChI=1S/C13H21NO2/c1-10(2)7-8-13(15)14(4)11(3)12-6-5-9-16-12/h5-6,9-11H,7-8H2,1-4H3
InChIKeyRZSBGFYKMSXLOP-UHFFFAOYSA-N
XLogP3.24
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65067582
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 86982268
[(S)-furan-2-yl(phenyl)methyl]-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8756001
4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 97029759
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-[cyano(furan-2-yl)methyl]-N,3-dimethylbutanamide
CID 13075779
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
tert-butyl N-[4-[2-[1-(furan-2-yl)ethyl-methylamino]-2-oxoethyl]phenyl]carbamate
CID 78852970
2-(furan-2-ylmethylamino)-N-methyl-N-propan-2-ylacetamide
CID 28586514
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide (CID 78853140) is N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)C(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide?
The InChIKey is RZSBGFYKMSXLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)7-8-13(15)14(4)11(3)12-6-5-9-16-12/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide?
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide has a molecular weight of 223.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 78853140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).