4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide

C19H22N2O2 — CID 77352806

IUPAC4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
SMILESCOc1ccc(NC(=O)C=CC(N)CCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-18-12-10-17(11-13-18)21-19(22)14-9-16(20)8-7-15-5-3-2-4-6-15/h2-6,9-14,16H,7-8,20H2,1H3,(H,21,22)
InChIKeyUMRVZUIXZYPOGT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.15
Rot. Bonds7

About 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide

4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide (PubChem CID 77352806) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
PubChem CID77352806
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
SMILESCOc1ccc(NC(=O)C=CC(N)CCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-18-12-10-17(11-13-18)21-19(22)14-9-16(20)8-7-15-5-3-2-4-6-15/h2-6,9-14,16H,7-8,20H2,1H3,(H,21,22)
InChIKeyUMRVZUIXZYPOGT-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide?
The IUPAC name of 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide (CID 77352806) is 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide.
What is the SMILES notation for 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide?
The canonical SMILES for 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide is COc1ccc(NC(=O)C=CC(N)CCc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide?
The InChIKey is UMRVZUIXZYPOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-12-10-17(11-13-18)21-19(22)14-9-16(20)8-7-15-5-3-2-4-6-15/h2-6,9-14,16H,7-8,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide?
4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide is sourced from PubChem (CID 77352806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).