2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide

C17H29NO2 — CID 62527897

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
SMILESCC1CCCC(CO)(NC(=O)CC2CC3CCC2C3)C1
InChIInChI=1S/C17H29NO2/c1-12-3-2-6-17(10-12,11-19)18-16(20)9-15-8-13-4-5-14(15)7-13/h12-15,19H,2-11H2,1H3,(H,18,20)
InChIKeyRVIXCODVQDLJQT-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide (PubChem CID 62527897) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
PubChem CID62527897
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
SMILESCC1CCCC(CO)(NC(=O)CC2CC3CCC2C3)C1
InChIInChI=1S/C17H29NO2/c1-12-3-2-6-17(10-12,11-19)18-16(20)9-15-8-13-4-5-14(15)7-13/h12-15,19H,2-11H2,1H3,(H,18,20)
InChIKeyRVIXCODVQDLJQT-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid
CID 79848948
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
3-(ethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62835204
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552555
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-piperidin-3-ylacetamide
CID 62674573
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylsulfonylpropanamide
CID 62525990
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylpyrrolidin-3-yl)acetamide
CID 107422950
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
CID 82012547
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
1-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81369663

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide (CID 62527897) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide is CC1CCCC(CO)(NC(=O)CC2CC3CCC2C3)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The InChIKey is RVIXCODVQDLJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12-3-2-6-17(10-12,11-19)18-16(20)9-15-8-13-4-5-14(15)7-13/h12-15,19H,2-11H2,1H3,(H,18,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide has a molecular weight of 279.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 62527897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).