N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide

C28H33N3O2 — CID 90985936

IUPACN,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(NCc3ccco3)c2)cc1
InChIInChI=1S/C28H33N3O2/c1-3-31(4-2)28(32)22-15-13-21(14-16-22)27(26-12-5-6-17-29-26)23-9-7-10-24(19-23)30-20-25-11-8-18-33-25/h7-11,13-16,18-19,27,30H,3-6,12,17,20H2,1-2H3
InChIKeyOBHZQNCICJJHPB-UHFFFAOYSA-N
MW443.59 g/mol
LogP6.13
Rot. Bonds9

About N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide

N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide (PubChem CID 90985936) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
PubChem CID90985936
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(NCc3ccco3)c2)cc1
InChIInChI=1S/C28H33N3O2/c1-3-31(4-2)28(32)22-15-13-21(14-16-22)27(26-12-5-6-17-29-26)23-9-7-10-24(19-23)30-20-25-11-8-18-33-25/h7-11,13-16,18-19,27,30H,3-6,12,17,20H2,1-2H3
InChIKeyOBHZQNCICJJHPB-UHFFFAOYSA-N
XLogP6.13
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[(2-chlorophenyl)methylamino]phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N,N-diethylbenzamide
CID 91519352
3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide
CID 90929441
3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834424
methyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
CID 58928477
1-[3-(furan-2-ylmethylamino)phenyl]propan-1-one
CID 122234636
3-[[2-(diethylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834716
N,N-diethyl-4-[(R)-(4-prop-2-enylpiperazin-1-yl)-[3-(thiophen-2-ylmethylamino)phenyl]methyl]benzamide
CID 10097584
3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline
CID 115744245
N,N-diethyl-4-[[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111356533
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
3-[[4-(diethylcarbamoyl)phenyl]-[1-(furan-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10298976
N-ethyl-N-(2-ethylbutyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 39482925

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide (CID 90985936) is N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(C2=NCCCC2)c2cccc(NCc3ccco3)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide?
The InChIKey is OBHZQNCICJJHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-3-31(4-2)28(32)22-15-13-21(14-16-22)27(26-12-5-6-17-29-26)23-9-7-10-24(19-23)30-20-25-11-8-18-33-25/h7-11,13-16,18-19,27,30H,3-6,12,17,20H2,1-2H3.
What are the key properties of N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide?
N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide has a molecular weight of 443.59 g/mol, XLogP of 6.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide is sourced from PubChem (CID 90985936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).