N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide

C16H28N2O — CID 115583046

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H28N2O/c1-12(15-11-13-6-7-14(15)10-13)17-16(19)18-8-4-2-3-5-9-18/h12-15H,2-11H2,1H3,(H,17,19)
InChIKeyWLDWTHONFVDZJS-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.40
Rot. Bonds2

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide (PubChem CID 115583046) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
PubChem CID115583046
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1)C1CC2CCC1C2
InChIInChI=1S/C16H28N2O/c1-12(15-11-13-6-7-14(15)10-13)17-16(19)18-8-4-2-3-5-9-18/h12-15H,2-11H2,1H3,(H,17,19)
InChIKeyWLDWTHONFVDZJS-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 98790490
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 6981850
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylacetamide
CID 98219029
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 43179794
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145468
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78765721
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 98537150
N-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 98537147
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523448
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 98126823

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide (CID 115583046) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide is CC(NC(=O)N1CCCCCC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide?
The InChIKey is WLDWTHONFVDZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(15-11-13-6-7-14(15)10-13)17-16(19)18-8-4-2-3-5-9-18/h12-15H,2-11H2,1H3,(H,17,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide is sourced from PubChem (CID 115583046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).