2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide

C15H20N2O2 — CID 70548529

IUPAC2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide
SMILESCC12CC(C[C@H](NC(=O)CN)C1)c1ccccc1O2
InChIInChI=1S/C15H20N2O2/c1-15-7-10(6-11(8-15)17-14(18)9-16)12-4-2-3-5-13(12)19-15/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)/t10?,11-,15?/m0/s1
InChIKeyVYAUCISOBPQPTF-VTWZXRTESA-N
MW260.34 g/mol
LogP1.55
Rot. Bonds2

About 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide

2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide (PubChem CID 70548529) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide
PubChem CID70548529
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide
SMILESCC12CC(C[C@H](NC(=O)CN)C1)c1ccccc1O2
InChIInChI=1S/C15H20N2O2/c1-15-7-10(6-11(8-15)17-14(18)9-16)12-4-2-3-5-13(12)19-15/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)/t10?,11-,15?/m0/s1
InChIKeyVYAUCISOBPQPTF-VTWZXRTESA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide with MolForge

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Related Compounds

(11S)-N-ethyl-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-amine
CID 70549686
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
1-(9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl)piperidine;hydrochloride
CID 12875866
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
CID 132652300
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]oxyacetamide
CID 112673304

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide?
The IUPAC name of 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide (CID 70548529) is 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide?
The canonical SMILES for 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide is CC12CC(C[C@H](NC(=O)CN)C1)c1ccccc1O2.
What is the InChIKey of 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide?
The InChIKey is VYAUCISOBPQPTF-VTWZXRTESA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15-7-10(6-11(8-15)17-14(18)9-16)12-4-2-3-5-13(12)19-15/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)/t10?,11-,15?/m0/s1.
What are the key properties of 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide?
2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(11S)-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl]acetamide is sourced from PubChem (CID 70548529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).