5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide

C31H34N2O3 — CID 3265296

IUPAC5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
SMILESCOc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)NC(C)CCc2ccccc2)o1
InChIInChI=1S/C31H34N2O3/c1-24(17-18-25-11-5-3-6-12-25)32-31(34)30-20-19-28(36-30)23-33(21-26-13-7-4-8-14-26)22-27-15-9-10-16-29(27)35-2/h3-16,19-20,24H,17-18,21-23H2,1-2H3,(H,32,34)
InChIKeyVWKSGGDOMVTAGA-UHFFFAOYSA-N
MW482.62 g/mol
LogP6.24
Rot. Bonds12

About 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide

5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide (PubChem CID 3265296) has the molecular formula C31H34N2O3 and a molecular weight of 482.62 g/mol. Its IUPAC name is 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
PubChem CID3265296
Molecular FormulaC31H34N2O3
Molecular Weight482.62 g/mol
Exact Mass482.26
IUPAC Name5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
SMILESCOc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)NC(C)CCc2ccccc2)o1
InChIInChI=1S/C31H34N2O3/c1-24(17-18-25-11-5-3-6-12-25)32-31(34)30-20-19-28(36-30)23-33(21-26-13-7-4-8-14-26)22-27-15-9-10-16-29(27)35-2/h3-16,19-20,24H,17-18,21-23H2,1-2H3,(H,32,34)
InChIKeyVWKSGGDOMVTAGA-UHFFFAOYSA-N
XLogP6.24
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)furan-2-carboxamide
CID 42750932
5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
CID 3639048
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
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 7417815
5-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3908956
5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide
CID 42752769
5-methoxy-4-oxo-N-[(2S)-4-phenylbutan-2-yl]pyran-2-carboxamide
CID 27378261
5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 3875007
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide (CID 3265296) is 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide is COc1ccccc1CN(Cc1ccccc1)Cc1ccc(C(=O)NC(C)CCc2ccccc2)o1.
What is the InChIKey of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide?
The InChIKey is VWKSGGDOMVTAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3/c1-24(17-18-25-11-5-3-6-12-25)32-31(34)30-20-19-28(36-30)23-33(21-26-13-7-4-8-14-26)22-27-15-9-10-16-29(27)35-2/h3-16,19-20,24H,17-18,21-23H2,1-2H3,(H,32,34).
What are the key properties of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide?
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide has a molecular weight of 482.62 g/mol, XLogP of 6.24, 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-(4-phenylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 3265296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).