4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide

C17H27NO — CID 139506615

IUPAC4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide
SMILESCCC(C)(C)CCC(=O)NCC1=CC=CC(C)C=C1
InChIInChI=1S/C17H27NO/c1-5-17(3,4)12-11-16(19)18-13-15-8-6-7-14(2)9-10-15/h6-10,14H,5,11-13H2,1-4H3,(H,18,19)
InChIKeyGEKOWBVHXIJPCB-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.01
Rot. Bonds6

About 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide

4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide (PubChem CID 139506615) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide
PubChem CID139506615
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide
SMILESCCC(C)(C)CCC(=O)NCC1=CC=CC(C)C=C1
InChIInChI=1S/C17H27NO/c1-5-17(3,4)12-11-16(19)18-13-15-8-6-7-14(2)9-10-15/h6-10,14H,5,11-13H2,1-4H3,(H,18,19)
InChIKeyGEKOWBVHXIJPCB-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide?
The IUPAC name of 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide (CID 139506615) is 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide.
What is the SMILES notation for 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide?
The canonical SMILES for 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide is CCC(C)(C)CCC(=O)NCC1=CC=CC(C)C=C1.
What is the InChIKey of 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide?
The InChIKey is GEKOWBVHXIJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-17(3,4)12-11-16(19)18-13-15-8-6-7-14(2)9-10-15/h6-10,14H,5,11-13H2,1-4H3,(H,18,19).
What are the key properties of 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide?
4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide has a molecular weight of 261.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]hexanamide is sourced from PubChem (CID 139506615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).