2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide

C18H26N2O2 — CID 124807506

IUPAC2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide
SMILESCc1cccc(CN2C[C@H]3COC[C@@]3(CC(=O)N(C)C)C2)c1
InChIInChI=1S/C18H26N2O2/c1-14-5-4-6-15(7-14)9-20-10-16-11-22-13-18(16,12-20)8-17(21)19(2)3/h4-7,16H,8-13H2,1-3H3/t16-,18+/m0/s1
InChIKeyPGYGJJBTACXNMV-FUHWJXTLSA-N
MW302.42 g/mol
LogP1.92
Rot. Bonds4

About 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide

2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide (PubChem CID 124807506) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide
PubChem CID124807506
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide
SMILESCc1cccc(CN2C[C@H]3COC[C@@]3(CC(=O)N(C)C)C2)c1
InChIInChI=1S/C18H26N2O2/c1-14-5-4-6-15(7-14)9-20-10-16-11-22-13-18(16,12-20)8-17(21)19(2)3/h4-7,16H,8-13H2,1-3H3/t16-,18+/m0/s1
InChIKeyPGYGJJBTACXNMV-FUHWJXTLSA-N
XLogP1.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanecarboxamide
CID 97420640
2-[(3aS,6aR)-5-[(3-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone
CID 97474140
2-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127023653
[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 124845102
2-[[(2S)-6,6-dimethyl-4-[(3-methylphenyl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 129483580
(3aS,6aR)-3a-(ethoxymethyl)-5-[(3-methoxyphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420896
1-[(3aR,6aR)-5-[(3,4-difluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine
CID 97420484
3-[[(3aR,6aR)-5-(thiophen-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420518
N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124835176
N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97420711
3-[[(3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420519
2-[(1S,3aR,7aR)-5-[(3-methylphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 131685427

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide (CID 124807506) is 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide is Cc1cccc(CN2C[C@H]3COC[C@@]3(CC(=O)N(C)C)C2)c1.
What is the InChIKey of 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide?
The InChIKey is PGYGJJBTACXNMV-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-5-4-6-15(7-14)9-20-10-16-11-22-13-18(16,12-20)8-17(21)19(2)3/h4-7,16H,8-13H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide?
2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide has a molecular weight of 302.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aS)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 124807506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).