5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide

C17H29N3O — CID 89215079

IUPAC5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
SMILESC=C/C=C(\C=C/CNC(=O)CCCCN)N(CC)CC=C
InChIInChI=1S/C17H29N3O/c1-4-10-16(20(6-3)15-5-2)11-9-14-19-17(21)12-7-8-13-18/h4-5,9-11H,1-2,6-8,12-15,18H2,3H3,(H,19,21)/b11-9-,16-10+
InChIKeyCMFPLQPSRGUHHX-LJOSEPHYSA-N
MW291.44 g/mol
LogP2.37
Rot. Bonds12

About 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide

5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide (PubChem CID 89215079) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
PubChem CID89215079
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide
SMILESC=C/C=C(\C=C/CNC(=O)CCCCN)N(CC)CC=C
InChIInChI=1S/C17H29N3O/c1-4-10-16(20(6-3)15-5-2)11-9-14-19-17(21)12-7-8-13-18/h4-5,9-11H,1-2,6-8,12-15,18H2,3H3,(H,19,21)/b11-9-,16-10+
InChIKeyCMFPLQPSRGUHHX-LJOSEPHYSA-N
XLogP2.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide?
The IUPAC name of 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide (CID 89215079) is 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide.
What is the SMILES notation for 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide?
The canonical SMILES for 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide is C=C/C=C(\C=C/CNC(=O)CCCCN)N(CC)CC=C.
What is the InChIKey of 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide?
The InChIKey is CMFPLQPSRGUHHX-LJOSEPHYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-16(20(6-3)15-5-2)11-9-14-19-17(21)12-7-8-13-18/h4-5,9-11H,1-2,6-8,12-15,18H2,3H3,(H,19,21)/b11-9-,16-10+.
What are the key properties of 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide?
5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide has a molecular weight of 291.44 g/mol, XLogP of 2.37, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2Z,4E)-4-[ethyl(prop-2-enyl)amino]hepta-2,4,6-trienyl]pentanamide is sourced from PubChem (CID 89215079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).