N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide

C17H23NO — CID 3058669

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C17H23NO/c1-11(2)8-17(19)18-16-7-6-14-9-12-4-3-5-13(12)10-15(14)16/h9-11,16H,3-8H2,1-2H3,(H,18,19)
InChIKeyPJVRBJNCTZYKOZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds3

About N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide (PubChem CID 3058669) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide
PubChem CID3058669
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C17H23NO/c1-11(2)8-17(19)18-16-7-6-14-9-12-4-3-5-13(12)10-15(14)16/h9-11,16H,3-8H2,1-2H3,(H,18,19)
InChIKeyPJVRBJNCTZYKOZ-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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trans-(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentane-1-carboxamide
CID 72703068
N-[1-(2,4-dimethylphenyl)ethyl]cyclopentanecarboxamide
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CID 224044

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide (CID 3058669) is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide is CC(C)CC(=O)NC1CCc2cc3c(cc21)CCC3.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide?
The InChIKey is PJVRBJNCTZYKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11(2)8-17(19)18-16-7-6-14-9-12-4-3-5-13(12)10-15(14)16/h9-11,16H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide?
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-3-methylbutanamide is sourced from PubChem (CID 3058669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).