2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide

C16H24N2O — CID 67562659

IUPAC2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CNC2CCCC2)C=C1
InChIInChI=1S/C16H24N2O/c1-13-6-5-9-15(11-10-13)18(2)16(19)12-17-14-7-3-4-8-14/h6,9-11,14,17H,3-5,7-8,12H2,1-2H3
InChIKeyJESVIXJLJKIKDB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds4

About 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide

2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide (PubChem CID 67562659) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
PubChem CID67562659
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CNC2CCCC2)C=C1
InChIInChI=1S/C16H24N2O/c1-13-6-5-9-15(11-10-13)18(2)16(19)12-17-14-7-3-4-8-14/h6,9-11,14,17H,3-5,7-8,12H2,1-2H3
InChIKeyJESVIXJLJKIKDB-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide (CID 67562659) is 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide is CC1=CCC=C(N(C)C(=O)CNC2CCCC2)C=C1.
What is the InChIKey of 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The InChIKey is JESVIXJLJKIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-5-9-15(11-10-13)18(2)16(19)12-17-14-7-3-4-8-14/h6,9-11,14,17H,3-5,7-8,12H2,1-2H3.
What are the key properties of 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide is sourced from PubChem (CID 67562659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).