N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide

C12H18N2O2 — CID 143573148

IUPACN-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1=CCCC=C1
InChIInChI=1S/C12H18N2O2/c15-12(10-14-6-8-16-9-7-14)13-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2,(H,13,15)
InChIKeyGXHISGXXMIRDDA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide

N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide (PubChem CID 143573148) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide
PubChem CID143573148
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC1=CCCC=C1
InChIInChI=1S/C12H18N2O2/c15-12(10-14-6-8-16-9-7-14)13-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2,(H,13,15)
InChIKeyGXHISGXXMIRDDA-UHFFFAOYSA-N
XLogP0.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide (CID 143573148) is N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide?
The InChIKey is GXHISGXXMIRDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(10-14-6-8-16-9-7-14)13-11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2,(H,13,15).
What are the key properties of N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide?
N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 143573148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).