N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide

C20H25NO2 — CID 71810477

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC(OC)c1ccccc1C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-17(16-11-6-5-7-12-16)20(22)21-14-19(23-3)18-13-9-8-10-15(18)2/h5-13,17,19H,4,14H2,1-3H3,(H,21,22)
InChIKeyNOSDNPNNVYEAKY-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.99
Rot. Bonds7

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide (PubChem CID 71810477) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide
PubChem CID71810477
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC(OC)c1ccccc1C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-4-17(16-11-6-5-7-12-16)20(22)21-14-19(23-3)18-13-9-8-10-15(18)2/h5-13,17,19H,4,14H2,1-3H3,(H,21,22)
InChIKeyNOSDNPNNVYEAKY-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide (CID 71810477) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide is CCC(C(=O)NCC(OC)c1ccccc1C)c1ccccc1.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide?
The InChIKey is NOSDNPNNVYEAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-17(16-11-6-5-7-12-16)20(22)21-14-19(23-3)18-13-9-8-10-15(18)2/h5-13,17,19H,4,14H2,1-3H3,(H,21,22).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 71810477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).