5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide

C25H30N2O4 — CID 3493325

IUPAC5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2OC)o1
InChIInChI=1S/C25H30N2O4/c1-29-16-8-15-26-25(28)24-14-13-22(31-24)19-27(17-20-9-4-3-5-10-20)18-21-11-6-7-12-23(21)30-2/h3-7,9-14H,8,15-19H2,1-2H3,(H,26,28)
InChIKeyYCCPRSMPHKBQAD-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.26
Rot. Bonds12

About 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide

5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide (PubChem CID 3493325) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
PubChem CID3493325
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2OC)o1
InChIInChI=1S/C25H30N2O4/c1-29-16-8-15-26-25(28)24-14-13-22(31-24)19-27(17-20-9-4-3-5-10-20)18-21-11-6-7-12-23(21)30-2/h3-7,9-14H,8,15-19H2,1-2H3,(H,26,28)
InChIKeyYCCPRSMPHKBQAD-UHFFFAOYSA-N
XLogP4.26
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 42753681
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-(1,2-diphenylethyl)furan-2-carboxamide
CID 42750932
5-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3908956
N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 42659403
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
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3908197
5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 7417815
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633
5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 3996326

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide?
The IUPAC name of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide (CID 3493325) is 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide is COCCCNC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2OC)o1.
What is the InChIKey of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide?
The InChIKey is YCCPRSMPHKBQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-29-16-8-15-26-25(28)24-14-13-22(31-24)19-27(17-20-9-4-3-5-10-20)18-21-11-6-7-12-23(21)30-2/h3-7,9-14H,8,15-19H2,1-2H3,(H,26,28).
What are the key properties of 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide?
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.26, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 3493325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).