4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide

C20H33N3O2 — CID 89215136

IUPAC4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
SMILESC=C/C(=C\C=C(/C)N1C[C@@H](C)O[C@H](C)C1)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C20H33N3O2/c1-5-19(22-20(24)17-7-9-18(21)10-8-17)11-6-14(2)23-12-15(3)25-16(4)13-23/h5-6,11,15-18H,1,7-10,12-13,21H2,2-4H3,(H,22,24)/b14-6+,19-11+/t15-,16-,17?,18?/m1/s1
InChIKeyYILPLAWZXZSUTR-DKQCWZRMSA-N
MW347.50 g/mol
LogP2.70
Rot. Bonds5

About 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide

4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide (PubChem CID 89215136) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
PubChem CID89215136
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
SMILESC=C/C(=C\C=C(/C)N1C[C@@H](C)O[C@H](C)C1)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C20H33N3O2/c1-5-19(22-20(24)17-7-9-18(21)10-8-17)11-6-14(2)23-12-15(3)25-16(4)13-23/h5-6,11,15-18H,1,7-10,12-13,21H2,2-4H3,(H,22,24)/b14-6+,19-11+/t15-,16-,17?,18?/m1/s1
InChIKeyYILPLAWZXZSUTR-DKQCWZRMSA-N
XLogP2.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-yl]-3-methyl-4-(methylamino)cyclohexane-1-carboxamide
CID 71040586
4-amino-N-[5-chloro-4-(2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]cyclohexane-1-carboxamide
CID 70974435
4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide
CID 89074032
4-amino-N-[(3Z,5E)-5-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-2-yl]cyclohexane-1-carboxamide
CID 89153929
N-[(3E,5E)-6-amino-6-[[(2S)-2-ethoxypropyl]amino]hexa-1,3,5-trien-3-yl]-4-(propan-2-ylsulfanylamino)cyclohexane-1-carboxamide
CID 89154118
4-amino-N-[(3E,5E)-6-chloro-7-(2,6-dimethylmorpholin-4-yl)hepta-1,3,5-trien-4-yl]cyclohexane-1-carboxamide
CID 89214766
N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide
CID 89214832
4-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 60850523

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide (CID 89215136) is 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide is C=C/C(=C\C=C(/C)N1C[C@@H](C)O[C@H](C)C1)NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide?
The InChIKey is YILPLAWZXZSUTR-DKQCWZRMSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-19(22-20(24)17-7-9-18(21)10-8-17)11-6-14(2)23-12-15(3)25-16(4)13-23/h5-6,11,15-18H,1,7-10,12-13,21H2,2-4H3,(H,22,24)/b14-6+,19-11+/t15-,16-,17?,18?/m1/s1.
What are the key properties of 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide?
4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3E,5E)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]hepta-1,3,5-trien-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 89215136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).