1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol

C18H23NO3 — CID 24713252

IUPAC1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C18H23NO3/c1-2-10-21-15-17(20)13-19(14-18-9-6-11-22-18)12-16-7-4-3-5-8-16/h2-9,11,17,20H,1,10,12-15H2
InChIKeyVXUNGPIAFWRLJX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.85
Rot. Bonds10

About 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol

1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol (PubChem CID 24713252) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
PubChem CID24713252
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C18H23NO3/c1-2-10-21-15-17(20)13-19(14-18-9-6-11-22-18)12-16-7-4-3-5-8-16/h2-9,11,17,20H,1,10,12-15H2
InChIKeyVXUNGPIAFWRLJX-UHFFFAOYSA-N
XLogP2.85
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
1-[furan-2-ylmethyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713625
1-[benzyl(furan-2-ylmethyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55346175
1-[benzyl-[(4-methylphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46007539
(2S)-1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93164335
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652
(2R)-1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-phenylmethoxypropan-2-ol
CID 93164886
(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93196312
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42836990
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46006868
1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007135

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol (CID 24713252) is 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CN(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol?
The InChIKey is VXUNGPIAFWRLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-2-10-21-15-17(20)13-19(14-18-9-6-11-22-18)12-16-7-4-3-5-8-16/h2-9,11,17,20H,1,10,12-15H2.
What are the key properties of 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol?
1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 24713252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).