4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol

C24H38N2O4 — CID 42839315

IUPAC4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(CN(CCN2CCOCC2)Cc2ccc(C)o2)o1
InChIInChI=1S/C24H38N2O4/c1-4-10-24(27,11-5-2)23-9-8-22(30-23)19-26(18-21-7-6-20(3)29-21)13-12-25-14-16-28-17-15-25/h6-9,27H,4-5,10-19H2,1-3H3
InChIKeyUOUJFXDDCWEYHS-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.30
Rot. Bonds12

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

4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol (PubChem CID 42839315) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol.

Molecular Properties

Compound Name4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol
PubChem CID42839315
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Name4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(CN(CCN2CCOCC2)Cc2ccc(C)o2)o1
InChIInChI=1S/C24H38N2O4/c1-4-10-24(27,11-5-2)23-9-8-22(30-23)19-26(18-21-7-6-20(3)29-21)13-12-25-14-16-28-17-15-25/h6-9,27H,4-5,10-19H2,1-3H3
InChIKeyUOUJFXDDCWEYHS-UHFFFAOYSA-N
XLogP4.30
TPSA62.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 42839321
2-hydroxypropane-1,2,3-tricarboxylic acid;2-[[(5-methylfuran-2-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 171672043
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 118747299
1-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 4119516
N-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171672050
3-dodecyl-1-[(5-methylfuran-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3626879
methyl 5-[[(5-methylthiophen-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-carboxylate
CID 46014958
5-[5-[[(4-methylphenyl)methyl-propylamino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017678
1-[(5-methylfuran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-(oxolan-2-ylmethyl)thiourea
CID 4185589
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 5086128
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide
CID 5060616
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 4056444

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol?
The IUPAC name of 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol (CID 42839315) is 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol.
What is the SMILES notation for 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol?
The canonical SMILES for 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol is CCCC(O)(CCC)c1ccc(CN(CCN2CCOCC2)Cc2ccc(C)o2)o1.
What is the InChIKey of 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol?
The InChIKey is UOUJFXDDCWEYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-4-10-24(27,11-5-2)23-9-8-22(30-23)19-26(18-21-7-6-20(3)29-21)13-12-25-14-16-28-17-15-25/h6-9,27H,4-5,10-19H2,1-3H3.
What are the key properties of 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol?
4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol has a molecular weight of 418.58 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(5-methylfuran-2-yl)methyl-(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]heptan-4-ol is sourced from PubChem (CID 42839315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).