N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide

C17H25NO — CID 67629054

IUPACN-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCC[C@H]1CCCc2ccc(C)cc21
InChIInChI=1S/C17H25NO/c1-3-5-17(19)18-11-10-15-7-4-6-14-9-8-13(2)12-16(14)15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyFJNYAQFATBROJQ-OAHLLOKOSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds5

About N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide

N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide (PubChem CID 67629054) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide
PubChem CID67629054
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide
SMILESCCCC(=O)NCC[C@H]1CCCc2ccc(C)cc21
InChIInChI=1S/C17H25NO/c1-3-5-17(19)18-11-10-15-7-4-6-14-9-8-13(2)12-16(14)15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyFJNYAQFATBROJQ-OAHLLOKOSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide?
The IUPAC name of N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide (CID 67629054) is N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide is CCCC(=O)NCC[C@H]1CCCc2ccc(C)cc21.
What is the InChIKey of N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide?
The InChIKey is FJNYAQFATBROJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-5-17(19)18-11-10-15-7-4-6-14-9-8-13(2)12-16(14)15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide?
N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide has a molecular weight of 259.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]butanamide is sourced from PubChem (CID 67629054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).