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

C19H27NO2 — CID 21175592

IUPAC2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1
InChIInChI=1S/C19H27NO2/c1-13-3-6-18(14(2)9-13)22-8-7-20-19(21)12-17-11-15-4-5-16(17)10-15/h3,6,9,15-17H,4-5,7-8,10-12H2,1-2H3,(H,20,21)/t15-,16-,17-/m1/s1
InChIKeyUGDXHTSNJWTRLT-BRWVUGGUSA-N
MW301.43 g/mol
LogP3.62
Rot. Bonds6

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

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide (PubChem CID 21175592) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
PubChem CID21175592
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1
InChIInChI=1S/C19H27NO2/c1-13-3-6-18(14(2)9-13)22-8-7-20-19(21)12-17-11-15-4-5-16(17)10-15/h3,6,9,15-17H,4-5,7-8,10-12H2,1-2H3,(H,20,21)/t15-,16-,17-/m1/s1
InChIKeyUGDXHTSNJWTRLT-BRWVUGGUSA-N
XLogP3.62
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 ≤ 53.62
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,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 11915736
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 11923511
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 11934978
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535016
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,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 11914356
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
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-bromo-4-methylphenyl)acetamide
CID 11918994
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide (CID 21175592) is 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1.
What is the InChIKey of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide?
The InChIKey is UGDXHTSNJWTRLT-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H27NO2/c1-13-3-6-18(14(2)9-13)22-8-7-20-19(21)12-17-11-15-4-5-16(17)10-15/h3,6,9,15-17H,4-5,7-8,10-12H2,1-2H3,(H,20,21)/t15-,16-,17-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide?
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 21175592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).