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

C19H30ClN3O2 — CID 89074032

IUPAC4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide
SMILESC=C(/C=C(/Cl)C(=C)N1CC(C)OC(C)C1)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C19H30ClN3O2/c1-12(22-19(24)16-5-7-17(21)8-6-16)9-18(20)15(4)23-10-13(2)25-14(3)11-23/h9,13-14,16-17H,1,4-8,10-11,21H2,2-3H3,(H,22,24)/b18-9+
InChIKeyIDHDYTVZBPSZNV-GIJQJNRQSA-N
MW367.92 g/mol
LogP2.88
Rot. Bonds5

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

4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide (PubChem CID 89074032) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide
PubChem CID89074032
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide
SMILESC=C(/C=C(/Cl)C(=C)N1CC(C)OC(C)C1)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C19H30ClN3O2/c1-12(22-19(24)16-5-7-17(21)8-6-16)9-18(20)15(4)23-10-13(2)25-14(3)11-23/h9,13-14,16-17H,1,4-8,10-11,21H2,2-3H3,(H,22,24)/b18-9+
InChIKeyIDHDYTVZBPSZNV-GIJQJNRQSA-N
XLogP2.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide (CID 89074032) is 4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide is C=C(/C=C(/Cl)C(=C)N1CC(C)OC(C)C1)NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide?
The InChIKey is IDHDYTVZBPSZNV-GIJQJNRQSA-N. The full InChI is InChI=1S/C19H30ClN3O2/c1-12(22-19(24)16-5-7-17(21)8-6-16)9-18(20)15(4)23-10-13(2)25-14(3)11-23/h9,13-14,16-17H,1,4-8,10-11,21H2,2-3H3,(H,22,24)/b18-9+.
What are the key properties of 4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide?
4-amino-N-[(3E)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide has a molecular weight of 367.92 g/mol, XLogP of 2.88, 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)-4-chloro-5-(2,6-dimethylmorpholin-4-yl)hexa-1,3,5-trien-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 89074032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).