2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide

C20H28N2O3 — CID 97476485

IUPAC2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide
SMILESCOc1ccccc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC2CC2)C1
InChIInChI=1S/C20H28N2O3/c1-24-18-5-3-2-4-14(18)11-22-9-8-17-15(12-22)13-25-19(17)10-20(23)21-16-6-7-16/h2-5,15-17,19H,6-13H2,1H3,(H,21,23)/t15-,17-,19+/m1/s1
InChIKeyCNEJWQMTPYFXSB-SUMDDJOVSA-N
MW344.45 g/mol
LogP2.20
Rot. Bonds6

About 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide

2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide (PubChem CID 97476485) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide
PubChem CID97476485
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide
SMILESCOc1ccccc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC2CC2)C1
InChIInChI=1S/C20H28N2O3/c1-24-18-5-3-2-4-14(18)11-22-9-8-17-15(12-22)13-25-19(17)10-20(23)21-16-6-7-16/h2-5,15-17,19H,6-13H2,1H3,(H,21,23)/t15-,17-,19+/m1/s1
InChIKeyCNEJWQMTPYFXSB-SUMDDJOVSA-N
XLogP2.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide with MolForge

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Related Compounds

2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclobutylacetamide
CID 97486048
2-[(1R,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide;2,2,2-trifluoroacetic acid
CID 155825750
2-[(1R,3aS,7aS)-5-[(4-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 133141686
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
2-[(1R,3aR,7aR)-5-[(2-chlorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155843038
N-(4-hydroxycyclohexyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45203710
[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 8909591
1-[(4aS,8aS)-6-[(2-methoxyphenyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]ethanone
CID 98896503
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide (CID 97476485) is 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide is COc1ccccc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC2CC2)C1.
What is the InChIKey of 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide?
The InChIKey is CNEJWQMTPYFXSB-SUMDDJOVSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-18-5-3-2-4-14(18)11-22-9-8-17-15(12-22)13-25-19(17)10-20(23)21-16-6-7-16/h2-5,15-17,19H,6-13H2,1H3,(H,21,23)/t15-,17-,19+/m1/s1.
What are the key properties of 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide?
2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide has a molecular weight of 344.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 97476485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).