2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide

C21H30N2O2 — CID 124787117

IUPAC2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(C[C@@H]1OC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21)NCC1CC1
InChIInChI=1S/C21H30N2O2/c24-21(22-13-17-6-7-17)12-20-19-9-11-23(14-18(19)15-25-20)10-8-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,22,24)/t18-,19-,20-/m0/s1
InChIKeyJZRVRAUVJZTSOM-UFYCRDLUSA-N
MW342.48 g/mol
LogP2.48
Rot. Bonds7

About 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide

2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 124787117) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID124787117
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(C[C@@H]1OC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21)NCC1CC1
InChIInChI=1S/C21H30N2O2/c24-21(22-13-17-6-7-17)12-20-19-9-11-23(14-18(19)15-25-20)10-8-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,22,24)/t18-,19-,20-/m0/s1
InChIKeyJZRVRAUVJZTSOM-UFYCRDLUSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide with MolForge

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Related Compounds

2-[(1S,3aR,7aR)-5-[(4-methoxyphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 97476467
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-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
2-[(1R,3aR,7aR)-5-[(3-methylphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155843433
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97185415
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 124787117) is 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide is O=C(C[C@@H]1OC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21)NCC1CC1.
What is the InChIKey of 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is JZRVRAUVJZTSOM-UFYCRDLUSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-21(22-13-17-6-7-17)12-20-19-9-11-23(14-18(19)15-25-20)10-8-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,22,24)/t18-,19-,20-/m0/s1.
What are the key properties of 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 342.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 124787117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).