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

C14H22N2O — CID 67562653

IUPACN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CNC(C)C)C=C1
InChIInChI=1S/C14H22N2O/c1-11(2)15-10-14(17)16(4)13-7-5-6-12(3)8-9-13/h6-9,11,15H,5,10H2,1-4H3
InChIKeyKXHOOAYMAWWPDF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds4

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

N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide (PubChem CID 67562653) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide
PubChem CID67562653
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide
SMILESCC1=CCC=C(N(C)C(=O)CNC(C)C)C=C1
InChIInChI=1S/C14H22N2O/c1-11(2)15-10-14(17)16(4)13-7-5-6-12(3)8-9-13/h6-9,11,15H,5,10H2,1-4H3
InChIKeyKXHOOAYMAWWPDF-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide (CID 67562653) is N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide is CC1=CCC=C(N(C)C(=O)CNC(C)C)C=C1.
What is the InChIKey of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide?
The InChIKey is KXHOOAYMAWWPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)15-10-14(17)16(4)13-7-5-6-12(3)8-9-13/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide?
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 67562653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).