N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C26H25NO4 — CID 3768297

IUPACN-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccco2)C(=O)c2ccco2)cc1
InChIInChI=1S/C26H25NO4/c1-29-22-13-11-20(12-14-22)19-27(26(28)25-10-6-18-31-25)16-15-23(24-9-5-17-30-24)21-7-3-2-4-8-21/h2-14,17-18,23H,15-16,19H2,1H3
InChIKeyYCFXNWRTAJGVPN-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.75
Rot. Bonds9

About N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 3768297) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID3768297
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC NameN-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccco2)C(=O)c2ccco2)cc1
InChIInChI=1S/C26H25NO4/c1-29-22-13-11-20(12-14-22)19-27(26(28)25-10-6-18-31-25)16-15-23(24-9-5-17-30-24)21-7-3-2-4-8-21/h2-14,17-18,23H,15-16,19H2,1H3
InChIKeyYCFXNWRTAJGVPN-UHFFFAOYSA-N
XLogP5.75
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 3768297) is N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CN(CCC(c2ccccc2)c2ccco2)C(=O)c2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is YCFXNWRTAJGVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-29-22-13-11-20(12-14-22)19-27(26(28)25-10-6-18-31-25)16-15-23(24-9-5-17-30-24)21-7-3-2-4-8-21/h2-14,17-18,23H,15-16,19H2,1H3.
What are the key properties of N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3768297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).