ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene

C17H29NO — CID 144636496

IUPACethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene
SMILESCC.CCC(C)C(N)=O.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C5H11NO.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4(2)5(6)7;1-2/h1-2,5-6H,3-4,7-8H2;4H,3H2,1-2H3,(H2,6,7);1-2H3
InChIKeyHTNULGCFABONJI-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.11
Rot. Bonds2

About ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene

ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene (PubChem CID 144636496) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene
PubChem CID144636496
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Nameethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene
SMILESCC.CCC(C)C(N)=O.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C5H11NO.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4(2)5(6)7;1-2/h1-2,5-6H,3-4,7-8H2;4H,3H2,1-2H3,(H2,6,7);1-2H3
InChIKeyHTNULGCFABONJI-UHFFFAOYSA-N
XLogP4.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene (CID 144636496) is ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene is CC.CCC(C)C(N)=O.c1ccc2c(c1)CCCC2.
What is the InChIKey of ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene?
The InChIKey is HTNULGCFABONJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C5H11NO.C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-4(2)5(6)7;1-2/h1-2,5-6H,3-4,7-8H2;4H,3H2,1-2H3,(H2,6,7);1-2H3.
What are the key properties of ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene?
ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene has a molecular weight of 263.43 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144636496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).