3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide

C13H22N2O2 — CID 113409686

IUPAC3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
SMILESCCC(NCCC(=O)NC(C)C)c1ccco1
InChIInChI=1S/C13H22N2O2/c1-4-11(12-6-5-9-17-12)14-8-7-13(16)15-10(2)3/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyFZBOONJTJWNFLO-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.23
Rot. Bonds7

About 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide

3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide (PubChem CID 113409686) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
PubChem CID113409686
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
SMILESCCC(NCCC(=O)NC(C)C)c1ccco1
InChIInChI=1S/C13H22N2O2/c1-4-11(12-6-5-9-17-12)14-8-7-13(16)15-10(2)3/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyFZBOONJTJWNFLO-UHFFFAOYSA-N
XLogP2.23
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(furan-2-yl)propylamino]-N-propan-2-ylacetamide
CID 62633589
2-[1-(furan-2-yl)propylamino]ethylurea
CID 83109971
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
2-[2-[1-(furan-2-yl)propylamino]ethoxy]acetamide
CID 106235398
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
N-(2-cyclopentylethyl)-1-(furan-2-yl)propan-1-amine
CID 62633625
1-[[1-(furan-2-yl)propylamino]methyl]cyclohexan-1-ol
CID 65107011
N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
CID 106007637

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide (CID 113409686) is 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide is CCC(NCCC(=O)NC(C)C)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide?
The InChIKey is FZBOONJTJWNFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-11(12-6-5-9-17-12)14-8-7-13(16)15-10(2)3/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide?
3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113409686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).