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

C21H30N2O3 — CID 97486048

IUPAC2-[(1S,3aR,7aR)-5-[(2-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-cyclobutylacetamide
SMILESCOc1ccccc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC2CCC2)C1
InChIInChI=1S/C21H30N2O3/c1-25-19-8-3-2-5-15(19)12-23-10-9-18-16(13-23)14-26-20(18)11-21(24)22-17-6-4-7-17/h2-3,5,8,16-18,20H,4,6-7,9-14H2,1H3,(H,22,24)/t16-,18-,20+/m1/s1
InChIKeyCGNCHLARJRJWJY-POAQFYNOSA-N
MW358.48 g/mol
LogP2.59
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-cyclobutylacetamide

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 (PubChem CID 97486048) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 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-cyclobutylacetamide.

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-cyclobutylacetamide
PubChem CID97486048
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
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-cyclobutylacetamide
SMILESCOc1ccccc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC2CCC2)C1
InChIInChI=1S/C21H30N2O3/c1-25-19-8-3-2-5-15(19)12-23-10-9-18-16(13-23)14-26-20(18)11-21(24)22-17-6-4-7-17/h2-3,5,8,16-18,20H,4,6-7,9-14H2,1H3,(H,22,24)/t16-,18-,20+/m1/s1
InChIKeyCGNCHLARJRJWJY-POAQFYNOSA-N
XLogP2.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.59
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-cyclobutylacetamide 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-cyclopropylacetamide
CID 97476485
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
1-[(2-methoxyphenyl)methyl]-N-(oxan-3-yl)piperidine-4-carboxamide
CID 46963470
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
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803

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-cyclobutylacetamide?
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-cyclobutylacetamide (CID 97486048) 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-cyclobutylacetamide.
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-cyclobutylacetamide?
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-cyclobutylacetamide is COc1ccccc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NC2CCC2)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-cyclobutylacetamide?
The InChIKey is CGNCHLARJRJWJY-POAQFYNOSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-25-19-8-3-2-5-15(19)12-23-10-9-18-16(13-23)14-26-20(18)11-21(24)22-17-6-4-7-17/h2-3,5,8,16-18,20H,4,6-7,9-14H2,1H3,(H,22,24)/t16-,18-,20+/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-cyclobutylacetamide?
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 has a molecular weight of 358.48 g/mol, XLogP of 2.59, 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-cyclobutylacetamide is sourced from PubChem (CID 97486048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).