(2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol

C20H25NO5 — CID 66673141

IUPAC(2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol
SMILESCOc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)CO)o2)cc1OC
InChIInChI=1S/C20H25NO5/c1-20(21,14-22)11-10-16-7-6-15(26-16)5-4-12-25-17-8-9-18(23-2)19(13-17)24-3/h6-9,13,22H,10-12,14,21H2,1-3H3/t20-/m1/s1
InChIKeyDQUQGBGHOLUBGL-HXUWFJFHSA-N
MW359.42 g/mol
LogP2.37
Rot. Bonds8

About (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol

(2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol (PubChem CID 66673141) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol
PubChem CID66673141
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol
SMILESCOc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)CO)o2)cc1OC
InChIInChI=1S/C20H25NO5/c1-20(21,14-22)11-10-16-7-6-15(26-16)5-4-12-25-17-8-9-18(23-2)19(13-17)24-3/h6-9,13,22H,10-12,14,21H2,1-3H3/t20-/m1/s1
InChIKeyDQUQGBGHOLUBGL-HXUWFJFHSA-N
XLogP2.37
TPSA87.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol?
The IUPAC name of (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol (CID 66673141) is (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol is COc1ccc(OCC#Cc2ccc(CC[C@@](C)(N)CO)o2)cc1OC.
What is the InChIKey of (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol?
The InChIKey is DQUQGBGHOLUBGL-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25NO5/c1-20(21,14-22)11-10-16-7-6-15(26-16)5-4-12-25-17-8-9-18(23-2)19(13-17)24-3/h6-9,13,22H,10-12,14,21H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol?
(2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol has a molecular weight of 359.42 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[5-[3-(3,4-dimethoxyphenoxy)prop-1-ynyl]furan-2-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 66673141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).