1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C19H29NO5S — CID 74226498

IUPAC1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCCOC(CN(Cc1cccs1)CC(O)COCc1ccco1)OCC
InChIInChI=1S/C19H29NO5S/c1-3-23-19(24-4-2)13-20(12-18-8-6-10-26-18)11-16(21)14-22-15-17-7-5-9-25-17/h5-10,16,19,21H,3-4,11-15H2,1-2H3
InChIKeyXCQOYEKOCGNLBB-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.12
Rot. Bonds14

About 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 74226498) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID74226498
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Name1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCCOC(CN(Cc1cccs1)CC(O)COCc1ccco1)OCC
InChIInChI=1S/C19H29NO5S/c1-3-23-19(24-4-2)13-20(12-18-8-6-10-26-18)11-16(21)14-22-15-17-7-5-9-25-17/h5-10,16,19,21H,3-4,11-15H2,1-2H3
InChIKeyXCQOYEKOCGNLBB-UHFFFAOYSA-N
XLogP3.12
TPSA64.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[benzyl(furan-2-ylmethyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55346175
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 63619196
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 93162553
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 46006706
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
CID 93163051
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 93162960
2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 63619200
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765
(2S)-1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 93163676
(2S)-1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163380
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160824

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 74226498) is 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is CCOC(CN(Cc1cccs1)CC(O)COCc1ccco1)OCC.
What is the InChIKey of 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is XCQOYEKOCGNLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5S/c1-3-23-19(24-4-2)13-20(12-18-8-6-10-26-18)11-16(21)14-22-15-17-7-5-9-25-17/h5-10,16,19,21H,3-4,11-15H2,1-2H3.
What are the key properties of 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 383.51 g/mol, XLogP of 3.12, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 74226498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).