N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide

C16H23NO — CID 127117899

IUPACN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
SMILESCCC(=O)NC(CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO/c1-3-15(17-16(18)4-2)14-10-9-12-7-5-6-8-13(12)11-14/h9-11,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyWLPKXHAABFKMCW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.54
Rot. Bonds4

About N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide (PubChem CID 127117899) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
PubChem CID127117899
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
SMILESCCC(=O)NC(CC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO/c1-3-15(17-16(18)4-2)14-10-9-12-7-5-6-8-13(12)11-14/h9-11,15H,3-8H2,1-2H3,(H,17,18)
InChIKeyWLPKXHAABFKMCW-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 108795925
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
CID 99779945
3-(4-chlorophenyl)sulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191080
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191464
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108893816
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191470
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyrazine-2-carboxamide
CID 108796805
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715119
2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191316
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide (CID 127117899) is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide is CCC(=O)NC(CC)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
The InChIKey is WLPKXHAABFKMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-15(17-16(18)4-2)14-10-9-12-7-5-6-8-13(12)11-14/h9-11,15H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide has a molecular weight of 245.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide is sourced from PubChem (CID 127117899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).