2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide

C19H27NO2 — CID 11923511

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C19H27NO2/c1-13-3-6-18(22-2)16(9-13)7-8-20-19(21)12-17-11-14-4-5-15(17)10-14/h3,6,9,14-15,17H,4-5,7-8,10-12H2,1-2H3,(H,20,21)/t14-,15+,17-/m0/s1
InChIKeyXNQPPWYWMPZCJZ-UXLLHSPISA-N
MW301.43 g/mol
LogP3.49
Rot. Bonds6

About 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 11923511) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID11923511
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C19H27NO2/c1-13-3-6-18(22-2)16(9-13)7-8-20-19(21)12-17-11-14-4-5-15(17)10-14/h3,6,9,14-15,17H,4-5,7-8,10-12H2,1-2H3,(H,20,21)/t14-,15+,17-/m0/s1
InChIKeyXNQPPWYWMPZCJZ-UXLLHSPISA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9246100
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 21175171
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 21175592
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107457
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440
methyl 5-[[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-2-methoxybenzoate
CID 98315209
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 11915736
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 60971610
2-[[(2-bicyclo[2.2.1]heptanylamino)-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111842495
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 11923511) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1CCNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is XNQPPWYWMPZCJZ-UXLLHSPISA-N. The full InChI is InChI=1S/C19H27NO2/c1-13-3-6-18(22-2)16(9-13)7-8-20-19(21)12-17-11-14-4-5-15(17)10-14/h3,6,9,14-15,17H,4-5,7-8,10-12H2,1-2H3,(H,20,21)/t14-,15+,17-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 11923511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).