N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide

C11H16N2O2 — CID 173224347

IUPACN-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(=O)NC1=CCCC=C1
InChIInChI=1S/C11H16N2O2/c1-8(2)10(14)13-11(15)12-9-6-4-3-5-7-9/h4,6-8H,3,5H2,1-2H3,(H2,12,13,14,15)
InChIKeyIVCZMNBMXHFTQW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.70
Rot. Bonds2

About N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide

N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide (PubChem CID 173224347) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide
PubChem CID173224347
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(=O)NC1=CCCC=C1
InChIInChI=1S/C11H16N2O2/c1-8(2)10(14)13-11(15)12-9-6-4-3-5-7-9/h4,6-8H,3,5H2,1-2H3,(H2,12,13,14,15)
InChIKeyIVCZMNBMXHFTQW-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide (CID 173224347) is N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide is CC(C)C(=O)NC(=O)NC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide?
The InChIKey is IVCZMNBMXHFTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)10(14)13-11(15)12-9-6-4-3-5-7-9/h4,6-8H,3,5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide?
N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylcarbamoyl)-2-methylpropanamide is sourced from PubChem (CID 173224347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).