N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide

C37H38N2O4 — CID 5008324

IUPACN-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESCOc1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)o2)cc1OC
InChIInChI=1S/C37H38N2O4/c1-41-34-20-18-32(24-36(34)42-2)26-38(25-30-14-8-4-9-15-30)28-33-19-21-35(43-33)37(40)39(27-31-16-10-5-11-17-31)23-22-29-12-6-3-7-13-29/h3-21,24H,22-23,25-28H2,1-2H3
InChIKeyYDYCLQCUDKGOSB-UHFFFAOYSA-N
MW574.72 g/mol
LogP7.38
Rot. Bonds14

About N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide

N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide (PubChem CID 5008324) has the molecular formula C37H38N2O4 and a molecular weight of 574.72 g/mol. Its IUPAC name is N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
PubChem CID5008324
Molecular FormulaC37H38N2O4
Molecular Weight574.72 g/mol
Exact Mass574.28
IUPAC NameN-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESCOc1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)o2)cc1OC
InChIInChI=1S/C37H38N2O4/c1-41-34-20-18-32(24-36(34)42-2)26-38(25-30-14-8-4-9-15-30)28-33-19-21-35(43-33)37(40)39(27-31-16-10-5-11-17-31)23-22-29-12-6-3-7-13-29/h3-21,24H,22-23,25-28H2,1-2H3
InChIKeyYDYCLQCUDKGOSB-UHFFFAOYSA-N
XLogP7.38
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 42659403
5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 3996326
1-[4-[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 4029039
[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 5180717
5-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3908956
5-[[1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 42753179
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 42695445
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)butan-1-amine
CID 141000405
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide (CID 5008324) is N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide is COc1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)o2)cc1OC.
What is the InChIKey of N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide?
The InChIKey is YDYCLQCUDKGOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O4/c1-41-34-20-18-32(24-36(34)42-2)26-38(25-30-14-8-4-9-15-30)28-33-19-21-35(43-33)37(40)39(27-31-16-10-5-11-17-31)23-22-29-12-6-3-7-13-29/h3-21,24H,22-23,25-28H2,1-2H3.
What are the key properties of N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide?
N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide has a molecular weight of 574.72 g/mol, XLogP of 7.38, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 5008324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).