[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol

C28H31NO4 — CID 46151282

IUPAC[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
SMILESCOCCCN(Cc1ccc(C)o1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C28H31NO4/c1-22-14-15-25(32-22)20-29(18-9-19-31-2)21-26-16-17-27(33-26)28(30,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-17,30H,9,18-21H2,1-2H3
InChIKeyUGUUFLQMRQWYFK-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.50
Rot. Bonds11

About [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol

[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol (PubChem CID 46151282) has the molecular formula C28H31NO4 and a molecular weight of 445.56 g/mol. Its IUPAC name is [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
PubChem CID46151282
Molecular FormulaC28H31NO4
Molecular Weight445.56 g/mol
Exact Mass445.23
IUPAC Name[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
SMILESCOCCCN(Cc1ccc(C)o1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C28H31NO4/c1-22-14-15-25(32-22)20-29(18-9-19-31-2)21-26-16-17-27(33-26)28(30,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-17,30H,9,18-21H2,1-2H3
InChIKeyUGUUFLQMRQWYFK-UHFFFAOYSA-N
XLogP5.50
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.50
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-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46017787
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017637
4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 42839321
bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
CID 46017738
[5-[[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46015495
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5171820
[5-[[(3-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017728
5-[5-[[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017559
[5-[[furan-2-ylmethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-bis(4-methoxyphenyl)methanol
CID 42839379
[5-[[(3-fluorophenyl)methyl-propylamino]methyl]furan-2-yl]-diphenylmethanol
CID 46017730
3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
CID 46017498

Frequently Asked Questions

What is the IUPAC name of [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol?
The IUPAC name of [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol (CID 46151282) is [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol?
The canonical SMILES for [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol is COCCCN(Cc1ccc(C)o1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol?
The InChIKey is UGUUFLQMRQWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO4/c1-22-14-15-25(32-22)20-29(18-9-19-31-2)21-26-16-17-27(33-26)28(30,23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-17,30H,9,18-21H2,1-2H3.
What are the key properties of [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol?
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol has a molecular weight of 445.56 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol is sourced from PubChem (CID 46151282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).