(2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol

C19H27NO4 — CID 100668034

IUPAC(2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol
SMILESCCOCC[C@@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccco1
InChIInChI=1S/C19H27NO4/c1-2-23-12-10-17(21)14-20(13-16-7-4-3-5-8-16)15-18(22)19-9-6-11-24-19/h3-9,11,17-18,21-22H,2,10,12-15H2,1H3/t17-,18+/m1/s1
InChIKeySAJCFSUEMFGLOG-MSOLQXFVSA-N
MW333.43 g/mol
LogP2.60
Rot. Bonds11

About (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol

(2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol (PubChem CID 100668034) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol
PubChem CID100668034
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name(2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol
SMILESCCOCC[C@@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccco1
InChIInChI=1S/C19H27NO4/c1-2-23-12-10-17(21)14-20(13-16-7-4-3-5-8-16)15-18(22)19-9-6-11-24-19/h3-9,11,17-18,21-22H,2,10,12-15H2,1H3/t17-,18+/m1/s1
InChIKeySAJCFSUEMFGLOG-MSOLQXFVSA-N
XLogP2.60
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
CID 111970128
(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 97082119
3-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoic acid
CID 119152156
2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 71922947
(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol
CID 97005148
1-[benzyl(2,2-diethoxyethyl)amino]-3-ethoxypropan-2-ol
CID 3838159
(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
CID 110025714
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol?
The IUPAC name of (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol (CID 100668034) is (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol?
The canonical SMILES for (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol is CCOCC[C@@H](O)CN(Cc1ccccc1)C[C@H](O)c1ccco1.
What is the InChIKey of (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol?
The InChIKey is SAJCFSUEMFGLOG-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27NO4/c1-2-23-12-10-17(21)14-20(13-16-7-4-3-5-8-16)15-18(22)19-9-6-11-24-19/h3-9,11,17-18,21-22H,2,10,12-15H2,1H3/t17-,18+/m1/s1.
What are the key properties of (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol?
(2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol has a molecular weight of 333.43 g/mol, XLogP of 2.60, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol is sourced from PubChem (CID 100668034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).