N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide

C36H36N2O3 — CID 42659403

IUPACN-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESCOc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)o1
InChIInChI=1S/C36H36N2O3/c1-40-34-20-12-11-19-32(34)27-37(25-30-15-7-3-8-16-30)28-33-21-22-35(41-33)36(39)38(26-31-17-9-4-10-18-31)24-23-29-13-5-2-6-14-29/h2-22H,23-28H2,1H3
InChIKeyVELDYVXUUIMSAG-UHFFFAOYSA-N
MW544.70 g/mol
LogP7.38
Rot. Bonds13

About N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide

N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide (PubChem CID 42659403) has the molecular formula C36H36N2O3 and a molecular weight of 544.70 g/mol. Its IUPAC name is N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
PubChem CID42659403
Molecular FormulaC36H36N2O3
Molecular Weight544.70 g/mol
Exact Mass544.27
IUPAC NameN-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
SMILESCOc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)o1
InChIInChI=1S/C36H36N2O3/c1-40-34-20-12-11-19-32(34)27-37(25-30-15-7-3-8-16-30)28-33-21-22-35(41-33)36(39)38(26-31-17-9-4-10-18-31)24-23-29-13-5-2-6-14-29/h2-22H,23-28H2,1H3
InChIKeyVELDYVXUUIMSAG-UHFFFAOYSA-N
XLogP7.38
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 5008324
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
CID 3265296
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3493325
5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 3996326
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide
CID 42750932
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
5-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3908956
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 120885996
5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 23148945
5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 3875007
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide (CID 42659403) is N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide is COc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)o1.
What is the InChIKey of N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide?
The InChIKey is VELDYVXUUIMSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O3/c1-40-34-20-12-11-19-32(34)27-37(25-30-15-7-3-8-16-30)28-33-21-22-35(41-33)36(39)38(26-31-17-9-4-10-18-31)24-23-29-13-5-2-6-14-29/h2-22H,23-28H2,1H3.
What are the key properties of N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide?
N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide has a molecular weight of 544.70 g/mol, XLogP of 7.38, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 42659403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).