2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide

C15H21NO — CID 91211983

IUPAC2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide
SMILESCC(C)C(=O)NCC1=CCCC2=C1CCC=C2
InChIInChI=1S/C15H21NO/c1-11(2)15(17)16-10-13-8-5-7-12-6-3-4-9-14(12)13/h3,6,8,11H,4-5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyKKHWMWVMYSRCMN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide

2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide (PubChem CID 91211983) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide
PubChem CID91211983
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide
SMILESCC(C)C(=O)NCC1=CCCC2=C1CCC=C2
InChIInChI=1S/C15H21NO/c1-11(2)15(17)16-10-13-8-5-7-12-6-3-4-9-14(12)13/h3,6,8,11H,4-5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyKKHWMWVMYSRCMN-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[2-methyl-1-(2-methylpropanoylamino)propan-2-yl]cyclohexa-1,5-diene-1-carboxamide
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2-methyl-N-[(5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide (CID 91211983) is 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide is CC(C)C(=O)NCC1=CCCC2=C1CCC=C2.
What is the InChIKey of 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide?
The InChIKey is KKHWMWVMYSRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)15(17)16-10-13-8-5-7-12-6-3-4-9-14(12)13/h3,6,8,11H,4-5,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide?
2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide has a molecular weight of 231.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,4,7,8-tetrahydronaphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 91211983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).