2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

C20H27NO3 — CID 98600366

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C20H27NO3/c22-20(11-16-10-14-6-7-15(16)9-14)21-17-3-1-4-18(12-17)24-13-19-5-2-8-23-19/h1,3-4,12,14-16,19H,2,5-11,13H2,(H,21,22)/t14-,15-,16+,19-/m0/s1
InChIKeyUZPJQMKWIOVIIQ-GGXPGOJBSA-N
MW329.44 g/mol
LogP4.01
Rot. Bonds6

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (PubChem CID 98600366) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
PubChem CID98600366
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESO=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C20H27NO3/c22-20(11-16-10-14-6-7-15(16)9-14)21-17-3-1-4-18(12-17)24-13-19-5-2-8-23-19/h1,3-4,12,14-16,19H,2,5-11,13H2,(H,21,22)/t14-,15-,16+,19-/m0/s1
InChIKeyUZPJQMKWIOVIIQ-GGXPGOJBSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide with MolForge

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Related Compounds

2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119713721
N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 46580008
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide
CID 47091971
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119713684
2-(dipropylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54818764
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (CID 98600366) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is UZPJQMKWIOVIIQ-GGXPGOJBSA-N. The full InChI is InChI=1S/C20H27NO3/c22-20(11-16-10-14-6-7-15(16)9-14)21-17-3-1-4-18(12-17)24-13-19-5-2-8-23-19/h1,3-4,12,14-16,19H,2,5-11,13H2,(H,21,22)/t14-,15-,16+,19-/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 98600366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).