N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide

C15H27NO — CID 123304596

IUPACN-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide
SMILESCCC(=O)NCC1CC2CC(CC)CC(C1)C2
InChIInChI=1S/C15H27NO/c1-3-11-5-12-7-13(6-11)9-14(8-12)10-16-15(17)4-2/h11-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyRSUFHSFUHWKAPK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.37
Rot. Bonds4

About N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide

N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide (PubChem CID 123304596) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide
PubChem CID123304596
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide
SMILESCCC(=O)NCC1CC2CC(CC)CC(C1)C2
InChIInChI=1S/C15H27NO/c1-3-11-5-12-7-13(6-11)9-14(8-12)10-16-15(17)4-2/h11-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyRSUFHSFUHWKAPK-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(1-iodopiperidin-4-yl)methyl]propanamide
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N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide
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N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 63007436
3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 76732971
N-[(1,1-dioxothian-3-yl)methyl]propanamide
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N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
N-[(3-chlorocyclopentyl)methyl]butanamide
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CID 131131632

Frequently Asked Questions

What is the IUPAC name of N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide?
The IUPAC name of N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide (CID 123304596) is N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide.
What is the SMILES notation for N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide?
The canonical SMILES for N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide is CCC(=O)NCC1CC2CC(CC)CC(C1)C2.
What is the InChIKey of N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide?
The InChIKey is RSUFHSFUHWKAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-11-5-12-7-13(6-11)9-14(8-12)10-16-15(17)4-2/h11-14H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide?
N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide has a molecular weight of 237.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethyl-3-bicyclo[3.3.1]nonanyl)methyl]propanamide is sourced from PubChem (CID 123304596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).