5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide

C35H34N2O3 — CID 42750932

IUPAC5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide
SMILESCOc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)NC(Cc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C35H34N2O3/c1-39-33-20-12-11-19-30(33)25-37(24-28-15-7-3-8-16-28)26-31-21-22-34(40-31)35(38)36-32(29-17-9-4-10-18-29)23-27-13-5-2-6-14-27/h2-22,32H,23-26H2,1H3,(H,36,38)
InChIKeyVUJNSJVMMBPTDD-UHFFFAOYSA-N
MW530.67 g/mol
LogP7.20
Rot. Bonds12

About 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide

5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide (PubChem CID 42750932) has the molecular formula C35H34N2O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide
PubChem CID42750932
Molecular FormulaC35H34N2O3
Molecular Weight530.67 g/mol
Exact Mass530.26
IUPAC Name5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide
SMILESCOc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)NC(Cc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C35H34N2O3/c1-39-33-20-12-11-19-30(33)25-37(24-28-15-7-3-8-16-28)26-31-21-22-34(40-31)35(38)36-32(29-17-9-4-10-18-29)23-27-13-5-2-6-14-27/h2-22,32H,23-26H2,1H3,(H,36,38)
InChIKeyVUJNSJVMMBPTDD-UHFFFAOYSA-N
XLogP7.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 42659403
5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 7417815
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
2-[[(2,4-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide
CID 3375784
5-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3908956
5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
CID 3639048
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 3875007
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-2-ethyl-4,5-dimethoxybenzamide
CID 56728576

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide (CID 42750932) is 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide is COc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)NC(Cc2ccccc2)c2ccccc2)o1.
What is the InChIKey of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide?
The InChIKey is VUJNSJVMMBPTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O3/c1-39-33-20-12-11-19-30(33)25-37(24-28-15-7-3-8-16-28)26-31-21-22-34(40-31)35(38)36-32(29-17-9-4-10-18-29)23-27-13-5-2-6-14-27/h2-22,32H,23-26H2,1H3,(H,36,38).
What are the key properties of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide?
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 7.20, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide is sourced from PubChem (CID 42750932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).