5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide

C14H23F3N2O — CID 89214736

IUPAC5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide
SMILESC/C=C(\C=C(\C)[C@@H](C)NC(=O)CCCCN)C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-4-12(14(15,16)17)9-10(2)11(3)19-13(20)7-5-6-8-18/h4,9,11H,5-8,18H2,1-3H3,(H,19,20)/b10-9-,12-4+/t11-/m1/s1
InChIKeyNLQWCDHYCCCYSC-PBQJHGEMSA-N
MW292.34 g/mol
LogP3.08
Rot. Bonds7

About 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide

5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide (PubChem CID 89214736) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide
PubChem CID89214736
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide
SMILESC/C=C(\C=C(\C)[C@@H](C)NC(=O)CCCCN)C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-4-12(14(15,16)17)9-10(2)11(3)19-13(20)7-5-6-8-18/h4,9,11H,5-8,18H2,1-3H3,(H,19,20)/b10-9-,12-4+/t11-/m1/s1
InChIKeyNLQWCDHYCCCYSC-PBQJHGEMSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide?
The IUPAC name of 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide (CID 89214736) is 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide?
The canonical SMILES for 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide is C/C=C(\C=C(\C)[C@@H](C)NC(=O)CCCCN)C(F)(F)F.
What is the InChIKey of 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide?
The InChIKey is NLQWCDHYCCCYSC-PBQJHGEMSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-4-12(14(15,16)17)9-10(2)11(3)19-13(20)7-5-6-8-18/h4,9,11H,5-8,18H2,1-3H3,(H,19,20)/b10-9-,12-4+/t11-/m1/s1.
What are the key properties of 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide?
5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide has a molecular weight of 292.34 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide is sourced from PubChem (CID 89214736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).