N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide

C14H24N2O2 — CID 21439703

IUPACN-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
SMILESCC(=O)NC1CCCC2C(NC(C)=O)CCCC12
InChIInChI=1S/C14H24N2O2/c1-9(17)15-13-7-3-6-12-11(13)5-4-8-14(12)16-10(2)18/h11-14H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNTZRFIYXMXPYCB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds2

About N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide

N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide (PubChem CID 21439703) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
PubChem CID21439703
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
SMILESCC(=O)NC1CCCC2C(NC(C)=O)CCCC12
InChIInChI=1S/C14H24N2O2/c1-9(17)15-13-7-3-6-12-11(13)5-4-8-14(12)16-10(2)18/h11-14H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyNTZRFIYXMXPYCB-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]acetamide
CID 130909390
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide
CID 99908294
N-[(1S,2S)-2-iodocyclopentyl]acetamide
CID 138652376
N-[(1R,2S,3S)-2,3-dihydroxycyclohexyl]acetamide
CID 101197936
N-(2-ethylcyclopentyl)acetamide
CID 130891213
N-(8-bicyclo[5.1.0]octanyl)acetamide
CID 130011496
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-[(1R,2R)-2-hydroxycyclohexyl]acetamide;hydrochloride
CID 172759321
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(4R,4aS,8aS)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetamide
CID 6558760
N-[(1S,2S)-2-[(1S,2S)-2-acetamidocyclohexyl]selanylcyclohexyl]acetamide
CID 10981236

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide (CID 21439703) is N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide is CC(=O)NC1CCCC2C(NC(C)=O)CCCC12.
What is the InChIKey of N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide?
The InChIKey is NTZRFIYXMXPYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(17)15-13-7-3-6-12-11(13)5-4-8-14(12)16-10(2)18/h11-14H,3-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide?
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 21439703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).