5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane

C17H28N2O2 — CID 143740901

IUPAC5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane
SMILESCC(=O)NCC1(C)C=CC=C(C(N)=O)C=C1.CC(C)(C)C
InChIInChI=1S/C12H16N2O2.C5H12/c1-9(15)14-8-12(2)6-3-4-10(5-7-12)11(13)16;1-5(2,3)4/h3-7H,8H2,1-2H3,(H2,13,16)(H,14,15);1-4H3
InChIKeyLYESWGRYIAEYKN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.72
Rot. Bonds3

About 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane

5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane (PubChem CID 143740901) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane.

Molecular Properties

Compound Name5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane
PubChem CID143740901
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane
SMILESCC(=O)NCC1(C)C=CC=C(C(N)=O)C=C1.CC(C)(C)C
InChIInChI=1S/C12H16N2O2.C5H12/c1-9(15)14-8-12(2)6-3-4-10(5-7-12)11(13)16;1-5(2,3)4/h3-7H,8H2,1-2H3,(H2,13,16)(H,14,15);1-4H3
InChIKeyLYESWGRYIAEYKN-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 146552983
cyclohepta-1,3,6-triene-1-carboxamide;ethane
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CID 130284950
N-[(3-methyldiaziridin-3-yl)methyl]acetamide
CID 71666038
tert-butyl N-(3-amino-1-methylcyclohepta-2,4,6-trien-1-yl)carbamate
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CID 63356051
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CID 89009988
1-[5-methyl-5-(3-methylbutyl)cyclohepta-1,3,6-trien-1-yl]-2-(5-methyl-5-propan-2-ylcyclohepta-1,3,6-trien-1-yl)ethanone
CID 91469188
N-(2-ethyl-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)acetamide
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[1-[7-[(2-methylpropan-2-yl)oxycarbonylamino]heptyl]-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 134873743

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane?
The IUPAC name of 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane (CID 143740901) is 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane.
What is the SMILES notation for 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane?
The canonical SMILES for 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane is CC(=O)NCC1(C)C=CC=C(C(N)=O)C=C1.CC(C)(C)C.
What is the InChIKey of 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane?
The InChIKey is LYESWGRYIAEYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C5H12/c1-9(15)14-8-12(2)6-3-4-10(5-7-12)11(13)16;1-5(2,3)4/h3-7H,8H2,1-2H3,(H2,13,16)(H,14,15);1-4H3.
What are the key properties of 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane?
5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane has a molecular weight of 292.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-5-methylcyclohepta-1,3,6-triene-1-carboxamide;2,2-dimethylpropane is sourced from PubChem (CID 143740901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).