N-decyl-N-(2-phenylphenyl)prop-2-enamide

C25H33NO — CID 172713254

IUPACN-decyl-N-(2-phenylphenyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCCCCCCC)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H33NO/c1-3-5-6-7-8-9-10-16-21-26(25(27)4-2)24-20-15-14-19-23(24)22-17-12-11-13-18-22/h4,11-15,17-20H,2-3,5-10,16,21H2,1H3
InChIKeyFNHDVUJPKRJUOX-UHFFFAOYSA-N
MW363.55 g/mol
LogP7.01
Rot. Bonds12

About N-decyl-N-(2-phenylphenyl)prop-2-enamide

N-decyl-N-(2-phenylphenyl)prop-2-enamide (PubChem CID 172713254) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is N-decyl-N-(2-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-decyl-N-(2-phenylphenyl)prop-2-enamide
PubChem CID172713254
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC NameN-decyl-N-(2-phenylphenyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCCCCCCC)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H33NO/c1-3-5-6-7-8-9-10-16-21-26(25(27)4-2)24-20-15-14-19-23(24)22-17-12-11-13-18-22/h4,11-15,17-20H,2-3,5-10,16,21H2,1H3
InChIKeyFNHDVUJPKRJUOX-UHFFFAOYSA-N
XLogP7.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-decyl-N-(2-phenylphenyl)prop-2-enamide?
The IUPAC name of N-decyl-N-(2-phenylphenyl)prop-2-enamide (CID 172713254) is N-decyl-N-(2-phenylphenyl)prop-2-enamide.
What is the SMILES notation for N-decyl-N-(2-phenylphenyl)prop-2-enamide?
The canonical SMILES for N-decyl-N-(2-phenylphenyl)prop-2-enamide is C=CC(=O)N(CCCCCCCCCC)c1ccccc1-c1ccccc1.
What is the InChIKey of N-decyl-N-(2-phenylphenyl)prop-2-enamide?
The InChIKey is FNHDVUJPKRJUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-3-5-6-7-8-9-10-16-21-26(25(27)4-2)24-20-15-14-19-23(24)22-17-12-11-13-18-22/h4,11-15,17-20H,2-3,5-10,16,21H2,1H3.
What are the key properties of N-decyl-N-(2-phenylphenyl)prop-2-enamide?
N-decyl-N-(2-phenylphenyl)prop-2-enamide has a molecular weight of 363.55 g/mol, XLogP of 7.01, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-(2-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 172713254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).