2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide

C18H25NO — CID 55576995

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H25NO/c1-12-3-6-15(7-4-12)13(2)19-18(20)11-17-10-14-5-8-16(17)9-14/h3-4,6-7,13-14,16-17H,5,8-11H2,1-2H3,(H,19,20)
InChIKeyWXAVQMHMFZQAAA-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 55576995) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID55576995
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CC2CC3CCC2C3)cc1
InChIInChI=1S/C18H25NO/c1-12-3-6-15(7-4-12)13(2)19-18(20)11-17-10-14-5-8-16(17)9-14/h3-4,6-7,13-14,16-17H,5,8-11H2,1-2H3,(H,19,20)
InChIKeyWXAVQMHMFZQAAA-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187782
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 98614205
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 42905846
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18557265
2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98298900
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19467157
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 11918943
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 51188825
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 11915736
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide (CID 55576995) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CC2CC3CCC2C3)cc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is WXAVQMHMFZQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-12-3-6-15(7-4-12)13(2)19-18(20)11-17-10-14-5-8-16(17)9-14/h3-4,6-7,13-14,16-17H,5,8-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 271.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 55576995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).