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

C18H25NO2 — CID 11915736

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C18H25NO2/c1-13-2-6-17(7-3-13)21-9-8-19-18(20)12-16-11-14-4-5-15(16)10-14/h2-3,6-7,14-16H,4-5,8-12H2,1H3,(H,19,20)/t14-,15+,16-/m0/s1
InChIKeyURNJNQOQQWMMAA-XHSDSOJGSA-N
MW287.40 g/mol
LogP3.32
Rot. Bonds6

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

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 11915736) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID11915736
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C18H25NO2/c1-13-2-6-17(7-3-13)21-9-8-19-18(20)12-16-11-14-4-5-15(16)10-14/h2-3,6-7,14-16H,4-5,8-12H2,1H3,(H,19,20)/t14-,15+,16-/m0/s1
InChIKeyURNJNQOQQWMMAA-XHSDSOJGSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 11934978
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 21175592
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11929122
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 134039474
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107457
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 11923511
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11909285
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 55576995

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 11915736) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is URNJNQOQQWMMAA-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-2-6-17(7-3-13)21-9-8-19-18(20)12-16-11-14-4-5-15(16)10-14/h2-3,6-7,14-16H,4-5,8-12H2,1H3,(H,19,20)/t14-,15+,16-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 287.40 g/mol, XLogP of 3.32, 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-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 11915736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).