N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide

C12H20N2O — CID 23462776

IUPACN-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCCN(CC)C1C=CC=C(NC(C)=O)C1
InChIInChI=1S/C12H20N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-8,12H,4-5,9H2,1-3H3,(H,13,15)
InChIKeyVEIBNQJFWKPANG-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.68
Rot. Bonds4

About N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide

N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide (PubChem CID 23462776) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide
PubChem CID23462776
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCCN(CC)C1C=CC=C(NC(C)=O)C1
InChIInChI=1S/C12H20N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-8,12H,4-5,9H2,1-3H3,(H,13,15)
InChIKeyVEIBNQJFWKPANG-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide?
The IUPAC name of N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide (CID 23462776) is N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide.
What is the SMILES notation for N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide?
The canonical SMILES for N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide is CCN(CC)C1C=CC=C(NC(C)=O)C1.
What is the InChIKey of N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide?
The InChIKey is VEIBNQJFWKPANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-8,12H,4-5,9H2,1-3H3,(H,13,15).
What are the key properties of N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide?
N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide has a molecular weight of 208.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)cyclohexa-1,3-dien-1-yl]acetamide is sourced from PubChem (CID 23462776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).