(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide

C15H19F6N3O3 — CID 144692966

IUPAC(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide
SMILESC=C(/C=C(\C=C\CNC(=O)CNC(=O)[C@H](N)COC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H19F6N3O3/c1-9(14(16,17)18)6-10(15(19,20)21)4-3-5-23-12(25)7-24-13(26)11(22)8-27-2/h3-4,6,11H,1,5,7-8,22H2,2H3,(H,23,25)(H,24,26)/b4-3+,10-6+/t11-/m1/s1
InChIKeyKKQNJQURNXIBMK-PYCUAPKGSA-N
MW403.32 g/mol
LogP1.36
Rot. Bonds9

About (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide

(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide (PubChem CID 144692966) has the molecular formula C15H19F6N3O3 and a molecular weight of 403.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide
PubChem CID144692966
Molecular FormulaC15H19F6N3O3
Molecular Weight403.32 g/mol
Exact Mass403.13
IUPAC Name(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide
SMILESC=C(/C=C(\C=C\CNC(=O)CNC(=O)[C@H](N)COC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H19F6N3O3/c1-9(14(16,17)18)6-10(15(19,20)21)4-3-5-23-12(25)7-24-13(26)11(22)8-27-2/h3-4,6,11H,1,5,7-8,22H2,2H3,(H,23,25)(H,24,26)/b4-3+,10-6+/t11-/m1/s1
InChIKeyKKQNJQURNXIBMK-PYCUAPKGSA-N
XLogP1.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide with MolForge

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Related Compounds

2-amino-3-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489761
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CID 120986284
2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 120986285
(2R)-2-acetamido-N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
CID 87061145
(2R)-2-acetamido-N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
CID 90261543
2-acetamido-N-(2-ethylidenepent-3-enyl)-3-methoxypropanamide
CID 123602723
2-acetamido-3-methoxy-N-(2-methylidenebut-3-enyl)propanamide
CID 123745639
2-acetamido-N-(cyclohexa-1,3-dien-1-ylmethyl)-3-methoxypropanamide
CID 123897249
2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide
CID 123913790
2-acetamido-N-(2-ethenylpenta-2,4-dienyl)-3-methoxypropanamide
CID 124010547
2-amino-N-[(Z)-3-chloro-2-[(Z)-prop-1-enyl]pent-2-enyl]-3-methoxypropanamide
CID 142183516
2-amino-3-methoxy-N-[(2-methylcyclohexa-1,5-dien-1-yl)methyl]propanamide
CID 142825303

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide?
The IUPAC name of (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide (CID 144692966) is (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide is C=C(/C=C(\C=C\CNC(=O)CNC(=O)[C@H](N)COC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide?
The InChIKey is KKQNJQURNXIBMK-PYCUAPKGSA-N. The full InChI is InChI=1S/C15H19F6N3O3/c1-9(14(16,17)18)6-10(15(19,20)21)4-3-5-23-12(25)7-24-13(26)11(22)8-27-2/h3-4,6,11H,1,5,7-8,22H2,2H3,(H,23,25)(H,24,26)/b4-3+,10-6+/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide?
(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide has a molecular weight of 403.32 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide is sourced from PubChem (CID 144692966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).