4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol

C22H35NO4 — CID 42839321

IUPAC4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(CN(CCCOC)Cc2ccc(C)o2)o1
InChIInChI=1S/C22H35NO4/c1-5-12-22(24,13-6-2)21-11-10-20(27-21)17-23(14-7-15-25-4)16-19-9-8-18(3)26-19/h8-11,24H,5-7,12-17H2,1-4H3
InChIKeyYXMLBFHUDFIBJB-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.01
Rot. Bonds13

About 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol

4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol (PubChem CID 42839321) has the molecular formula C22H35NO4 and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol.

Molecular Properties

Compound Name4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
PubChem CID42839321
Molecular FormulaC22H35NO4
Molecular Weight377.53 g/mol
Exact Mass377.26
IUPAC Name4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(CN(CCCOC)Cc2ccc(C)o2)o1
InChIInChI=1S/C22H35NO4/c1-5-12-22(24,13-6-2)21-11-10-20(27-21)17-23(14-7-15-25-4)16-19-9-8-18(3)26-19/h8-11,24H,5-7,12-17H2,1-4H3
InChIKeyYXMLBFHUDFIBJB-UHFFFAOYSA-N
XLogP5.01
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol with MolForge

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Related Compounds

[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46017637
4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 42839315
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5171820
5-[5-[[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017559
[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46017787
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531
3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
CID 46017498
[5-[[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]furan-2-yl]-dithiophen-2-ylmethanol
CID 46015495
4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
CID 24714559
[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol
CID 112548864
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 42773278

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol?
The IUPAC name of 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol (CID 42839321) is 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol.
What is the SMILES notation for 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol?
The canonical SMILES for 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol is CCCC(O)(CCC)c1ccc(CN(CCCOC)Cc2ccc(C)o2)o1.
What is the InChIKey of 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol?
The InChIKey is YXMLBFHUDFIBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO4/c1-5-12-22(24,13-6-2)21-11-10-20(27-21)17-23(14-7-15-25-4)16-19-9-8-18(3)26-19/h8-11,24H,5-7,12-17H2,1-4H3.
What are the key properties of 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol?
4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol has a molecular weight of 377.53 g/mol, XLogP of 5.01, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol is sourced from PubChem (CID 42839321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).