5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide

C18H27NO5 — CID 100610935

IUPAC5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2ccc(C(OC)OC)o2)C12CCCC2
InChIInChI=1S/C18H27NO5/c1-4-23-15-11-14(18(15)9-5-6-10-18)19-16(20)12-7-8-13(24-12)17(21-2)22-3/h7-8,14-15,17H,4-6,9-11H2,1-3H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyOCUDVIMVYRLTAI-LSDHHAIUSA-N
MW337.42 g/mol
LogP3.04
Rot. Bonds7

About 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide

5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide (PubChem CID 100610935) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide
PubChem CID100610935
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide
SMILESCCO[C@@H]1C[C@H](NC(=O)c2ccc(C(OC)OC)o2)C12CCCC2
InChIInChI=1S/C18H27NO5/c1-4-23-15-11-14(18(15)9-5-6-10-18)19-16(20)12-7-8-13(24-12)17(21-2)22-3/h7-8,14-15,17H,4-6,9-11H2,1-3H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyOCUDVIMVYRLTAI-LSDHHAIUSA-N
XLogP3.04
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)benzamide
CID 119794751
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]urea
CID 95784357
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
CID 113239526
5-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685796
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 71980181
5-chloro-6-ethoxy-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]pyridine-3-carboxamide
CID 95782529
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-(methylamino)propanamide
CID 119794749

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide?
The IUPAC name of 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide (CID 100610935) is 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide?
The canonical SMILES for 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide is CCO[C@@H]1C[C@H](NC(=O)c2ccc(C(OC)OC)o2)C12CCCC2.
What is the InChIKey of 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide?
The InChIKey is OCUDVIMVYRLTAI-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H27NO5/c1-4-23-15-11-14(18(15)9-5-6-10-18)19-16(20)12-7-8-13(24-12)17(21-2)22-3/h7-8,14-15,17H,4-6,9-11H2,1-3H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide?
5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide is sourced from PubChem (CID 100610935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).