N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide

C16H28N2O2 — CID 42958334

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide
SMILESCC1CN(C(C)CNC(=O)C2CC=CCC2)CC(C)O1
InChIInChI=1S/C16H28N2O2/c1-12(18-10-13(2)20-14(3)11-18)9-17-16(19)15-7-5-4-6-8-15/h4-5,12-15H,6-11H2,1-3H3,(H,17,19)
InChIKeyPFUMOTIAFCIVSI-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide (PubChem CID 42958334) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide
PubChem CID42958334
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide
SMILESCC1CN(C(C)CNC(=O)C2CC=CCC2)CC(C)O1
InChIInChI=1S/C16H28N2O2/c1-12(18-10-13(2)20-14(3)11-18)9-17-16(19)15-7-5-4-6-8-15/h4-5,12-15H,6-11H2,1-3H3,(H,17,19)
InChIKeyPFUMOTIAFCIVSI-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]oxolane-2-carboxamide
CID 47028007
(2R)-N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]oxolane-2-carboxamide
CID 100836848
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
3-[(cyclohex-3-ene-1-carbonylamino)methyl]pentanoic acid
CID 81066101
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3-methylfuran-2-carboxamide
CID 47028009
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37150102
5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide
CID 94022762

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide (CID 42958334) is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide is CC1CN(C(C)CNC(=O)C2CC=CCC2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is PFUMOTIAFCIVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(18-10-13(2)20-14(3)11-18)9-17-16(19)15-7-5-4-6-8-15/h4-5,12-15H,6-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42958334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).