7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide

C28H32N2O — CID 15097565

IUPAC7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide
SMILESO=C(CCCCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1
InChIInChI=1S/C28H32N2O/c31-28(30-22-11-10-13-24-14-12-21-29-23-24)20-9-3-8-19-27(25-15-4-1-5-16-25)26-17-6-2-7-18-26/h1-2,4-7,12,14-19,21,23H,3,8-11,13,20,22H2,(H,30,31)
InChIKeyHANZFNFKVQKQAM-UHFFFAOYSA-N
MW412.58 g/mol
LogP6.21
Rot. Bonds12

About 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide

7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide (PubChem CID 15097565) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide.

Molecular Properties

Compound Name7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide
PubChem CID15097565
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide
SMILESO=C(CCCCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1
InChIInChI=1S/C28H32N2O/c31-28(30-22-11-10-13-24-14-12-21-29-23-24)20-9-3-8-19-27(25-15-4-1-5-16-25)26-17-6-2-7-18-26/h1-2,4-7,12,14-19,21,23H,3,8-11,13,20,22H2,(H,30,31)
InChIKeyHANZFNFKVQKQAM-UHFFFAOYSA-N
XLogP6.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide?
The IUPAC name of 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide (CID 15097565) is 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide.
What is the SMILES notation for 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide?
The canonical SMILES for 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide is O=C(CCCCC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1.
What is the InChIKey of 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide?
The InChIKey is HANZFNFKVQKQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c31-28(30-22-11-10-13-24-14-12-21-29-23-24)20-9-3-8-19-27(25-15-4-1-5-16-25)26-17-6-2-7-18-26/h1-2,4-7,12,14-19,21,23H,3,8-11,13,20,22H2,(H,30,31).
What are the key properties of 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide?
7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide has a molecular weight of 412.58 g/mol, XLogP of 6.21, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diphenyl-N-(4-pyridin-3-ylbutyl)hept-6-enamide is sourced from PubChem (CID 15097565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).