N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

C13H17NO — CID 10442880

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESCCC(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C13H17NO/c1-2-13(15)14-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3,(H,14,15)
InChIKeyPGUPSDWJGZRTBH-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.07
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide

N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (PubChem CID 10442880) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
PubChem CID10442880
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
SMILESCCC(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C13H17NO/c1-2-13(15)14-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3,(H,14,15)
InChIKeyPGUPSDWJGZRTBH-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide (CID 10442880) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is CCC(=O)NC1CCc2ccccc2C1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
The InChIKey is PGUPSDWJGZRTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-13(15)14-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3,(H,14,15).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide has a molecular weight of 203.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide is sourced from PubChem (CID 10442880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).