1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone

C18H23NO2 — CID 162741048

IUPAC1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone
SMILESCCCCN(Cc1ccccc1)Cc1ccc(C(C)=O)o1
InChIInChI=1S/C18H23NO2/c1-3-4-12-19(13-16-8-6-5-7-9-16)14-17-10-11-18(21-17)15(2)20/h5-11H,3-4,12-14H2,1-2H3
InChIKeyHBRWDTVOLZEKCA-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.28
Rot. Bonds8

About 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone

1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone (PubChem CID 162741048) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone
PubChem CID162741048
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone
SMILESCCCCN(Cc1ccccc1)Cc1ccc(C(C)=O)o1
InChIInChI=1S/C18H23NO2/c1-3-4-12-19(13-16-8-6-5-7-9-16)14-17-10-11-18(21-17)15(2)20/h5-11H,3-4,12-14H2,1-2H3
InChIKeyHBRWDTVOLZEKCA-UHFFFAOYSA-N
XLogP4.28
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid
CID 82330538
1-benzyl-3-[[5-[(dibutylamino)methyl]furan-2-carbonyl]amino]thiourea
CID 46373892
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750653
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
1-[5-[(dibutylamino)methyl]furan-2-yl]-2-ethoxyprop-2-en-1-one;ethane
CID 162740794
2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128888
5-[[3-(dimethylamino)propyl-ethylamino]methyl]furan-2-carboxylic acid
CID 102994678
N,N-dibenzylpropan-1-amine
CID 10840212

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone (CID 162741048) is 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone is CCCCN(Cc1ccccc1)Cc1ccc(C(C)=O)o1.
What is the InChIKey of 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone?
The InChIKey is HBRWDTVOLZEKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-4-12-19(13-16-8-6-5-7-9-16)14-17-10-11-18(21-17)15(2)20/h5-11H,3-4,12-14H2,1-2H3.
What are the key properties of 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone?
1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone has a molecular weight of 285.39 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone is sourced from PubChem (CID 162741048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).