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

C17H26N2O — CID 67562649

IUPAC2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CNC2CCCCC2)C=C1
InChIInChI=1S/C17H26N2O/c1-14-7-6-10-16(12-11-14)19(2)17(20)13-18-15-8-4-3-5-9-15/h7,10-12,15,18H,3-6,8-9,13H2,1-2H3
InChIKeyCXBMCTHDTXQHHI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.16
Rot. Bonds4

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

2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide (PubChem CID 67562649) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
PubChem CID67562649
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CNC2CCCCC2)C=C1
InChIInChI=1S/C17H26N2O/c1-14-7-6-10-16(12-11-14)19(2)17(20)13-18-15-8-4-3-5-9-15/h7,10-12,15,18H,3-6,8-9,13H2,1-2H3
InChIKeyCXBMCTHDTXQHHI-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide (CID 67562649) is 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide is CC1=CCC=C(N(C)C(=O)CNC2CCCCC2)C=C1.
What is the InChIKey of 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
The InChIKey is CXBMCTHDTXQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-7-6-10-16(12-11-14)19(2)17(20)13-18-15-8-4-3-5-9-15/h7,10-12,15,18H,3-6,8-9,13H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide?
2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide is sourced from PubChem (CID 67562649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).