N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide

C20H35N3O2 — CID 89214832

IUPACN-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESC/C=C(\C=C/CN1CC(C)OC(C)C1)NC(=O)C1CCC(NC)CC1
InChIInChI=1S/C20H35N3O2/c1-5-18(7-6-12-23-13-15(2)25-16(3)14-23)22-20(24)17-8-10-19(21-4)11-9-17/h5-7,15-17,19,21H,8-14H2,1-4H3,(H,22,24)/b7-6-,18-5+
InChIKeyLVWRRZCXABJHNX-RXHJDNMWSA-N
MW349.52 g/mol
LogP2.45
Rot. Bonds6

About N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide

N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide (PubChem CID 89214832) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide
PubChem CID89214832
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide
SMILESC/C=C(\C=C/CN1CC(C)OC(C)C1)NC(=O)C1CCC(NC)CC1
InChIInChI=1S/C20H35N3O2/c1-5-18(7-6-12-23-13-15(2)25-16(3)14-23)22-20(24)17-8-10-19(21-4)11-9-17/h5-7,15-17,19,21H,8-14H2,1-4H3,(H,22,24)/b7-6-,18-5+
InChIKeyLVWRRZCXABJHNX-RXHJDNMWSA-N
XLogP2.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
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
4-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 60850523

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide (CID 89214832) is N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide is C/C=C(\C=C/CN1CC(C)OC(C)C1)NC(=O)C1CCC(NC)CC1.
What is the InChIKey of N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is LVWRRZCXABJHNX-RXHJDNMWSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-5-18(7-6-12-23-13-15(2)25-16(3)14-23)22-20(24)17-8-10-19(21-4)11-9-17/h5-7,15-17,19,21H,8-14H2,1-4H3,(H,22,24)/b7-6-,18-5+.
What are the key properties of N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide?
N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-6-(2,6-dimethylmorpholin-4-yl)hexa-2,4-dien-3-yl]-4-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 89214832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).