N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide

C20H23NO2 — CID 24980402

IUPACN-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)C(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C20H23NO2/c1-4-15-21(19(22)5-2)20(16-11-7-6-8-12-16)17-13-9-10-14-18(17)23-3/h5-14,20H,2,4,15H2,1,3H3
InChIKeyGQKAMCFNQTWZLG-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.21
Rot. Bonds7

About N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide

N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide (PubChem CID 24980402) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide
PubChem CID24980402
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)C(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C20H23NO2/c1-4-15-21(19(22)5-2)20(16-11-7-6-8-12-16)17-13-9-10-14-18(17)23-3/h5-14,20H,2,4,15H2,1,3H3
InChIKeyGQKAMCFNQTWZLG-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide?
The IUPAC name of N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide (CID 24980402) is N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide?
The canonical SMILES for N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide is C=CC(=O)N(CCC)C(c1ccccc1)c1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide?
The InChIKey is GQKAMCFNQTWZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-15-21(19(22)5-2)20(16-11-7-6-8-12-16)17-13-9-10-14-18(17)23-3/h5-14,20H,2,4,15H2,1,3H3.
What are the key properties of N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide?
N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide has a molecular weight of 309.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-phenylmethyl]-N-propylprop-2-enamide is sourced from PubChem (CID 24980402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).