3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol

C21H31NO4 — CID 46017498

IUPAC3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(CN(CCOC)Cc2ccccc2OC)o1
InChIInChI=1S/C21H31NO4/c1-5-21(23,6-2)20-12-11-18(26-20)16-22(13-14-24-3)15-17-9-7-8-10-19(17)25-4/h7-12,23H,5-6,13-16H2,1-4H3
InChIKeyRWGVNHZMEYXORG-UHFFFAOYSA-N
MW361.48 g/mol
LogP3.94
Rot. Bonds11

About 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol

3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol (PubChem CID 46017498) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
PubChem CID46017498
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC Name3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc(CN(CCOC)Cc2ccccc2OC)o1
InChIInChI=1S/C21H31NO4/c1-5-21(23,6-2)20-12-11-18(26-20)16-22(13-14-24-3)15-17-9-7-8-10-19(17)25-4/h7-12,23H,5-6,13-16H2,1-4H3
InChIKeyRWGVNHZMEYXORG-UHFFFAOYSA-N
XLogP3.94
TPSA55.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(3-fluorophenyl)-[5-[[(2-methoxyphenyl)methyl-propylamino]methyl]furan-2-yl]methanol
CID 46017527
bis(3-fluorophenyl)-[5-[[2-methoxyethyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanol
CID 46017738
4-[5-[[furan-2-ylmethyl(2-methoxyethyl)amino]methyl]furan-2-yl]hepta-1,6-dien-4-ol
CID 24714559
5-[5-[[[(2S)-butan-2-yl]-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93187587
5-[5-[[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017559
4-[5-[[(2,3-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]methyl]furan-2-yl]heptan-4-ol
CID 46017576
4-[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]heptan-4-ol
CID 42839321
5-[5-[[2-methoxyethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017644
3-[5-[[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-yl]-2,4-dimethylpenta-1,4-dien-3-ol
CID 42839247
(2R)-1-[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93161162
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3493325
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
CID 24715033

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol?
The IUPAC name of 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol (CID 46017498) is 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol.
What is the SMILES notation for 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol?
The canonical SMILES for 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol is CCC(O)(CC)c1ccc(CN(CCOC)Cc2ccccc2OC)o1.
What is the InChIKey of 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol?
The InChIKey is RWGVNHZMEYXORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4/c1-5-21(23,6-2)20-12-11-18(26-20)16-22(13-14-24-3)15-17-9-7-8-10-19(17)25-4/h7-12,23H,5-6,13-16H2,1-4H3.
What are the key properties of 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol?
3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol has a molecular weight of 361.48 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-methoxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]pentan-3-ol is sourced from PubChem (CID 46017498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).