(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

C15H24N2O2 — CID 71170886

IUPAC(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC(C(=O)NCCN2CCOCC2)=CC[C@@H]1C
InChIInChI=1S/C15H24N2O2/c1-12-3-4-14(11-13(12)2)15(18)16-5-6-17-7-9-19-10-8-17/h4,11-12H,3,5-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyBBWIBFYIMAHEKS-LBPRGKRZSA-N
MW264.37 g/mol
LogP1.35
Rot. Bonds4

About (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide

(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 71170886) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID71170886
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC1=CC(C(=O)NCCN2CCOCC2)=CC[C@@H]1C
InChIInChI=1S/C15H24N2O2/c1-12-3-4-14(11-13(12)2)15(18)16-5-6-17-7-9-19-10-8-17/h4,11-12H,3,5-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyBBWIBFYIMAHEKS-LBPRGKRZSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide (CID 71170886) is (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is CC1=CC(C(=O)NCCN2CCOCC2)=CC[C@@H]1C.
What is the InChIKey of (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is BBWIBFYIMAHEKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-3-4-14(11-13(12)2)15(18)16-5-6-17-7-9-19-10-8-17/h4,11-12H,3,5-10H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
(4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-dimethyl-N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 71170886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).