4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline

C23H28N2O — CID 2929395

IUPAC4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCCC(Cc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C23H28N2O/c1-25(2)22-12-10-20(11-13-22)18-24-15-14-21(23-9-6-16-26-23)17-19-7-4-3-5-8-19/h3-13,16,21,24H,14-15,17-18H2,1-2H3
InChIKeyOYQJNUZLJJABAF-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.85
Rot. Bonds9

About 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline

4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline (PubChem CID 2929395) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline
PubChem CID2929395
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCCC(Cc2ccccc2)c2ccco2)cc1
InChIInChI=1S/C23H28N2O/c1-25(2)22-12-10-20(11-13-22)18-24-15-14-21(23-9-6-16-26-23)17-19-7-4-3-5-8-19/h3-13,16,21,24H,14-15,17-18H2,1-2H3
InChIKeyOYQJNUZLJJABAF-UHFFFAOYSA-N
XLogP4.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline with MolForge

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Related Compounds

4-(furan-2-yl)-2-methyl-5-oxo-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 11646235
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CID 2841012
4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 21716122
(2S)-2-amino-N-{4-[4-(furan-3-yl)phenoxy]phenyl}pentanediamide
CID 24901629
N-(2-amino-5-(furan-2-yl)phenyl)benzamide
CID 46830328
4-[(4-Acetylamino-phenyl)-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-N-ethyl-benzamide
CID 44395629
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
3-[(4-Ethoxyphenyl)amino]-1-phenyl-2-propen-1-one
CID 2246727
Ethyl 4-{[5-(2-furyl)-3-oxo-1-cyclohexen-1-yl]amino}benzoate
CID 2878114
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
3-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-methoxyphenyl)propanamide
CID 5196834
3-acetamido-N-[2-(furan-2-yl)ethyl]benzamide
CID 9506757

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline (CID 2929395) is 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCCC(Cc2ccccc2)c2ccco2)cc1.
What is the InChIKey of 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline?
The InChIKey is OYQJNUZLJJABAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-25(2)22-12-10-20(11-13-22)18-24-15-14-21(23-9-6-16-26-23)17-19-7-4-3-5-8-19/h3-13,16,21,24H,14-15,17-18H2,1-2H3.
What are the key properties of 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline?
4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline has a molecular weight of 348.49 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(furan-2-yl)-4-phenylbutyl]amino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 2929395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).